(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine

C17H20FN — CID 81375681

IUPAC(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NC(C)c1ccccc1F
InChIInChI=1S/C17H20FN/c1-12-8-4-5-9-15(12)13(2)19-14(3)16-10-6-7-11-17(16)18/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyNZLWKUVZCCHQMI-LSLKUGRBSA-N
MW257.35 g/mol
LogP4.55
Rot. Bonds4

About (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81375681) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
PubChem CID81375681
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC Name(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NC(C)c1ccccc1F
InChIInChI=1S/C17H20FN/c1-12-8-4-5-9-15(12)13(2)19-14(3)16-10-6-7-11-17(16)18/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1
InChIKeyNZLWKUVZCCHQMI-LSLKUGRBSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 115707420
1-(2-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 81354025
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43767888
N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 60943739
1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993264
(1S)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81364650
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60927070
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine (CID 81375681) is (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@H](C)NC(C)c1ccccc1F.
What is the InChIKey of (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is NZLWKUVZCCHQMI-LSLKUGRBSA-N. The full InChI is InChI=1S/C17H20FN/c1-12-8-4-5-9-15(12)13(2)19-14(3)16-10-6-7-11-17(16)18/h4-11,13-14,19H,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81375681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).