(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine

C17H19BrFNO — CID 81350501

IUPAC(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-11(13-4-7-15(19)8-5-13)20-12(2)14-6-9-17(21-3)16(18)10-14/h4-12,20H,1-3H3/t11-,12?/m1/s1
InChIKeyNCMOSGGQYDZDDR-JHJMLUEUSA-N
MW352.25 g/mol
LogP5.01
Rot. Bonds5

About (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine

(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81350501) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81350501
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
SMILESCOc1ccc(C(C)N[C@H](C)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C17H19BrFNO/c1-11(13-4-7-15(19)8-5-13)20-12(2)14-6-9-17(21-3)16(18)10-14/h4-12,20H,1-3H3/t11-,12?/m1/s1
InChIKeyNCMOSGGQYDZDDR-JHJMLUEUSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.25
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-bromophenyl)ethanamine
CID 81355700
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348422
2-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,6-difluoroaniline
CID 43775014
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 104827887
N-[1-(3-bromo-4-methoxyphenyl)ethyl]but-3-yn-2-amine
CID 114415474
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
1-(3-bromo-4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881812
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 43734064
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43734033
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81399004

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine (CID 81350501) is (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine is COc1ccc(C(C)N[C@H](C)c2ccc(F)cc2)cc1Br.
What is the InChIKey of (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is NCMOSGGQYDZDDR-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-11(13-4-7-15(19)8-5-13)20-12(2)14-6-9-17(21-3)16(18)10-14/h4-12,20H,1-3H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine?
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine has a molecular weight of 352.25 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81350501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).