(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine

C16H19ClN2O — CID 82893911

IUPAC(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1cc(C)nc(CN[C@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H19ClN2O/c1-11-8-16(20-3)9-15(19-11)10-18-12(2)13-4-6-14(17)7-5-13/h4-9,12,18H,10H2,1-3H3/t12-/m1/s1
InChIKeyOEPSQAHHDSEBGL-GFCCVEGCSA-N
MW290.79 g/mol
LogP3.90
Rot. Bonds5

About (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 82893911) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID82893911
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCOc1cc(C)nc(CN[C@H](C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H19ClN2O/c1-11-8-16(20-3)9-15(19-11)10-18-12(2)13-4-6-14(17)7-5-13/h4-9,12,18H,10H2,1-3H3/t12-/m1/s1
InChIKeyOEPSQAHHDSEBGL-GFCCVEGCSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 82886390
(1R)-1-(2-fluorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 82893767
1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]methanamine
CID 82893811
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
1-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 82892971
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-3-methylbutan-1-ol
CID 82893454
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]-2-phenylethanol
CID 82893531
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 82893513

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine (CID 82893911) is (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine is COc1cc(C)nc(CN[C@H](C)c2ccc(Cl)cc2)c1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is OEPSQAHHDSEBGL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11-8-16(20-3)9-15(19-11)10-18-12(2)13-4-6-14(17)7-5-13/h4-9,12,18H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 82893911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).