N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

C14H22N2O2 — CID 95334871

IUPACN-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1cccc(CNC[C@@H]2CN(C)CCO2)c1
InChIInChI=1S/C14H22N2O2/c1-16-6-7-18-14(11-16)10-15-9-12-4-3-5-13(8-12)17-2/h3-5,8,14-15H,6-7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyPRKAGFNSGHYTJO-CQSZACIVSA-N
MW250.34 g/mol
LogP1.12
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (PubChem CID 95334871) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
PubChem CID95334871
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1cccc(CNC[C@@H]2CN(C)CCO2)c1
InChIInChI=1S/C14H22N2O2/c1-16-6-7-18-14(11-16)10-15-9-12-4-3-5-13(8-12)17-2/h3-5,8,14-15H,6-7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyPRKAGFNSGHYTJO-CQSZACIVSA-N
XLogP1.12
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95160740
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 95160732
1-[(2R)-4-methylmorpholin-2-yl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 95302096
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123122
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 78943185

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (CID 95334871) is N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is COc1cccc(CNC[C@@H]2CN(C)CCO2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is PRKAGFNSGHYTJO-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-16-6-7-18-14(11-16)10-15-9-12-4-3-5-13(8-12)17-2/h3-5,8,14-15H,6-7,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 250.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95334871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).