2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine

C18H23NO — CID 103464451

IUPAC2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
SMILESCOCC(N[C@H](C)c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14-8-7-11-17(12-14)15(2)19-18(13-20-3)16-9-5-4-6-10-16/h4-12,15,18-19H,13H2,1-3H3/t15-,18?/m1/s1
InChIKeyDVTVQJCAYJVYNF-NNJIEVJOSA-N
MW269.39 g/mol
LogP4.03
Rot. Bonds6

About 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine

2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine (PubChem CID 103464451) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
PubChem CID103464451
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
SMILESCOCC(N[C@H](C)c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14-8-7-11-17(12-14)15(2)19-18(13-20-3)16-9-5-4-6-10-16/h4-12,15,18-19H,13H2,1-3H3/t15-,18?/m1/s1
InChIKeyDVTVQJCAYJVYNF-NNJIEVJOSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103464457
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
CID 43768398
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902285
2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 103902288
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
N-methoxy-1-(3-methylphenyl)ethanamine
CID 79039060
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine?
The IUPAC name of 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine (CID 103464451) is 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine.
What is the SMILES notation for 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine?
The canonical SMILES for 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine is COCC(N[C@H](C)c1cccc(C)c1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine?
The InChIKey is DVTVQJCAYJVYNF-NNJIEVJOSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-8-7-11-17(12-14)15(2)19-18(13-20-3)16-9-5-4-6-10-16/h4-12,15,18-19H,13H2,1-3H3/t15-,18?/m1/s1.
What are the key properties of 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine?
2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 103464451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).