1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine

C18H22ClN3O — CID 75514588

IUPAC1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCN1CCOC(C(NCc2cccnc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H22ClN3O/c1-22-9-10-23-17(13-22)18(15-4-6-16(19)7-5-15)21-12-14-3-2-8-20-11-14/h2-8,11,17-18,21H,9-10,12-13H2,1H3
InChIKeyHEDVEBFKMBYUII-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.90
Rot. Bonds5

About 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine

1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 75514588) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID75514588
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCN1CCOC(C(NCc2cccnc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H22ClN3O/c1-22-9-10-23-17(13-22)18(15-4-6-16(19)7-5-15)21-12-14-3-2-8-20-11-14/h2-8,11,17-18,21H,9-10,12-13H2,1H3
InChIKeyHEDVEBFKMBYUII-UHFFFAOYSA-N
XLogP2.90
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-chlorophenyl)-1-[(2R)-4-methylmorpholin-2-yl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 124777264
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
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
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
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
(4-methylmorpholin-2-yl)-pyridin-3-ylmethanol
CID 79087770
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[(4-methylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 79093764
5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile
CID 124882189
[2-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 105244565

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine (CID 75514588) is 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine is CN1CCOC(C(NCc2cccnc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is HEDVEBFKMBYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-22-9-10-23-17(13-22)18(15-4-6-16(19)7-5-15)21-12-14-3-2-8-20-11-14/h2-8,11,17-18,21H,9-10,12-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 331.85 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(4-methylmorpholin-2-yl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 75514588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).