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

C17H20BrNO — CID 103464457

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
SMILESCOCC(N[C@H](C)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-13(15-9-6-10-16(18)11-15)19-17(12-20-2)14-7-4-3-5-8-14/h3-11,13,17,19H,12H2,1-2H3/t13-,17?/m1/s1
InChIKeyNHTDBZYUMWAFDJ-FWJOYPJLSA-N
MW334.26 g/mol
LogP4.49
Rot. Bonds6

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

N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine (PubChem CID 103464457) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
PubChem CID103464457
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
SMILESCOCC(N[C@H](C)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-13(15-9-6-10-16(18)11-15)19-17(12-20-2)14-7-4-3-5-8-14/h3-11,13,17,19H,12H2,1-2H3/t13-,17?/m1/s1
InChIKeyNHTDBZYUMWAFDJ-FWJOYPJLSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
N-[(1S)-1-(3-bromophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 81382071
3-bromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463420
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902285
1-(3-bromophenyl)-N-ethyl-2-methoxyethanamine
CID 79575057
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
4-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propyl]phenol
CID 81381060
1-[[(1S)-1-(3-bromophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81381420
N-[1-(3-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 115708263
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine (CID 103464457) is N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine is COCC(N[C@H](C)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine?
The InChIKey is NHTDBZYUMWAFDJ-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13(15-9-6-10-16(18)11-15)19-17(12-20-2)14-7-4-3-5-8-14/h3-11,13,17,19H,12H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine?
N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine is sourced from PubChem (CID 103464457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).