(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine

C16H18ClNO — CID 28738276

IUPAC(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-12(14-5-9-16(19-2)10-6-14)18-11-13-3-7-15(17)8-4-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyNEXIFJFZJURPOU-GFCCVEGCSA-N
MW275.78 g/mol
LogP4.20
Rot. Bonds5

About (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine

(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 28738276) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID28738276
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-12(14-5-9-16(19-2)10-6-14)18-11-13-3-7-15(17)8-4-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1
InChIKeyNEXIFJFZJURPOU-GFCCVEGCSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 62050092
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178104
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 106816973
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 115762172
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
N-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 43297287
(1R)-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 81367242
1-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43079660
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine (CID 28738276) is (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is NEXIFJFZJURPOU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(14-5-9-16(19-2)10-6-14)18-11-13-3-7-15(17)8-4-13/h3-10,12,18H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine?
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 28738276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).