(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

C21H27ClN2O2 — CID 97253369

IUPAC(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1cc(C)ccc1CN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1
InChIInChI=1S/C21H27ClN2O2/c1-15-4-5-17(19(12-15)25-3)13-23-21(16-6-8-18(22)9-7-16)20-14-24(2)10-11-26-20/h4-9,12,20-21,23H,10-11,13-14H2,1-3H3/t20-,21-/m1/s1
InChIKeyLZCAHYULHGVFOL-NHCUHLMSSA-N
MW374.91 g/mol
LogP3.82
Rot. Bonds6

About (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (PubChem CID 97253369) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
PubChem CID97253369
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1cc(C)ccc1CN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1
InChIInChI=1S/C21H27ClN2O2/c1-15-4-5-17(19(12-15)25-3)13-23-21(16-6-8-18(22)9-7-16)20-14-24(2)10-11-26-20/h4-9,12,20-21,23H,10-11,13-14H2,1-3H3/t20-,21-/m1/s1
InChIKeyLZCAHYULHGVFOL-NHCUHLMSSA-N
XLogP3.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine with MolForge

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Related Compounds

(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 124777264
1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75514588
N-[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 99636385
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 86795755
N-[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]-2-methoxypropanamide
CID 75437440
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
(4-chloro-3-methoxyphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 79699140
5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile
CID 124882189
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
N-[2-[[(R)-(4-chlorophenyl)-[(2S)-4-methylmorpholin-2-yl]methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 97251834
N-[2-[[(4-chlorophenyl)-(4-methylmorpholin-2-yl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 75395849

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (CID 97253369) is (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is COc1cc(C)ccc1CN[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is LZCAHYULHGVFOL-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-15-4-5-17(19(12-15)25-3)13-23-21(16-6-8-18(22)9-7-16)20-14-24(2)10-11-26-20/h4-9,12,20-21,23H,10-11,13-14H2,1-3H3/t20-,21-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
(1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 374.91 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(2-methoxy-4-methylphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 97253369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).