(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine

C17H20ClNO — CID 106816973

IUPAC(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-12-4-5-14(10-17(12)18)11-19-13(2)15-6-8-16(20-3)9-7-15/h4-10,13,19H,11H2,1-3H3/t13-/m1/s1
InChIKeyVVZBNNQGDAOVMR-CYBMUJFWSA-N
MW289.81 g/mol
LogP4.51
Rot. Bonds5

About (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine

(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 106816973) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID106816973
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-12-4-5-14(10-17(12)18)11-19-13(2)15-6-8-16(20-3)9-7-15/h4-10,13,19H,11H2,1-3H3/t13-/m1/s1
InChIKeyVVZBNNQGDAOVMR-CYBMUJFWSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 106816485
(1R)-N-[(3-bromo-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 105401602
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115693136
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104865436
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
2-methoxy-5-[[1-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 62048765
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 106816973) is (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)NCc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is VVZBNNQGDAOVMR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-4-5-14(10-17(12)18)11-19-13(2)15-6-8-16(20-3)9-7-15/h4-10,13,19H,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 106816973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).