(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine

C17H19F2NO — CID 81367859

IUPAC(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NC(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H19F2NO/c1-11(13-4-7-15(21-3)8-5-13)20-12(2)14-6-9-16(18)17(19)10-14/h4-12,20H,1-3H3/t11-,12?/m0/s1
InChIKeyORSOCWOFXCSXDZ-PXYINDEMSA-N
MW291.34 g/mol
LogP4.39
Rot. Bonds5

About (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine

(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine (PubChem CID 81367859) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
PubChem CID81367859
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc([C@H](C)NC(C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H19F2NO/c1-11(13-4-7-15(21-3)8-5-13)20-12(2)14-6-9-16(18)17(19)10-14/h4-12,20H,1-3H3/t11-,12?/m0/s1
InChIKeyORSOCWOFXCSXDZ-PXYINDEMSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
CID 43680984
(1R)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82964495
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371436
3-[[1-(3,4-difluorophenyl)ethylamino]-(4-methoxyphenyl)methyl]-4-methoxyaniline
CID 18347046
5-fluoro-2-[1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]ethyl]phenol
CID 81367660
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 82963889
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8656099
(1R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81350630
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine (CID 81367859) is (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine is COc1ccc([C@H](C)NC(C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
The InChIKey is ORSOCWOFXCSXDZ-PXYINDEMSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11(13-4-7-15(21-3)8-5-13)20-12(2)14-6-9-16(18)17(19)10-14/h4-12,20H,1-3H3/t11-,12?/m0/s1.
What are the key properties of (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine?
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 81367859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).