(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine

C17H19BrFNO — CID 82963889

IUPAC(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NC(C)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFNO/c1-11(13-4-7-15(21-3)8-5-13)20-12(2)16-9-6-14(18)10-17(16)19/h4-12,20H,1-3H3/t11-,12?/m1/s1
InChIKeyBPCFMLULCZAPHO-JHJMLUEUSA-N
MW352.25 g/mol
LogP5.01
Rot. Bonds5

About (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine

(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 82963889) has the molecular formula C17H19BrFNO and a molecular weight of 352.25 g/mol. Its IUPAC name is (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID82963889
Molecular FormulaC17H19BrFNO
Molecular Weight352.25 g/mol
Exact Mass351.06
IUPAC Name(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@@H](C)NC(C)c2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H19BrFNO/c1-11(13-4-7-15(21-3)8-5-13)20-12(2)16-9-6-14(18)10-17(16)19/h4-12,20H,1-3H3/t11-,12?/m1/s1
InChIKeyBPCFMLULCZAPHO-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-(5-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82964495
(1S)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 82963738
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
(1S)-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347856
1-(4-bromophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680812
4-bromo-2-fluoro-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43192619
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 82964700
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline
CID 82964704

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine (CID 82963889) is (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@@H](C)NC(C)c2ccc(Br)cc2F)cc1.
What is the InChIKey of (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is BPCFMLULCZAPHO-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H19BrFNO/c1-11(13-4-7-15(21-3)8-5-13)20-12(2)16-9-6-14(18)10-17(16)19/h4-12,20H,1-3H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)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-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 82963889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).