1-(4-fluoro-3-methylphenyl)ethenamine

C9H10FN — CID 22980809

IUPAC1-(4-fluoro-3-methylphenyl)ethenamine
SMILESC=C(N)c1ccc(F)c(C)c1
InChIInChI=1S/C9H10FN/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,2,11H2,1H3
InChIKeyKVNBDNGSPDCTPG-UHFFFAOYSA-N
MW151.18 g/mol
LogP2.06
Rot. Bonds1

About 1-(4-fluoro-3-methylphenyl)ethenamine

1-(4-fluoro-3-methylphenyl)ethenamine (PubChem CID 22980809) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)ethenamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)ethenamine
PubChem CID22980809
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name1-(4-fluoro-3-methylphenyl)ethenamine
SMILESC=C(N)c1ccc(F)c(C)c1
InChIInChI=1S/C9H10FN/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,2,11H2,1H3
InChIKeyKVNBDNGSPDCTPG-UHFFFAOYSA-N
XLogP2.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Dimethylaniline
CID 6896
2,6-Diethylaniline
CID 11369
2-Ethyl-6-methylaniline
CID 32485
3-Methylbenzylamine
CID 66015
3-(Trifluoromethyl)benzylamine
CID 75962
Benzenamine, 2,6-dimethyl-, hydrochloride (1:1)
CID 88899
1-(4-Fluorophenyl)ethylamine
CID 123063
Benzenemethanamine, 3-(trifluoromethyl)-, hydrochloride (1:1)
CID 49795974
(1R)-1-(3-(Trifluoromethyl)phenyl)ethylamine
CID 2782448
(S)-1-(4-Fluorophenyl)-ethylamine
CID 2779063
(1R)-(+)-1-(4-Fluorophenyl)ethylamine
CID 6950187
Aminocinnamonitrile
CID 1711920

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)ethenamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)ethenamine (CID 22980809) is 1-(4-fluoro-3-methylphenyl)ethenamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)ethenamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)ethenamine is C=C(N)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)ethenamine?
The InChIKey is KVNBDNGSPDCTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-6-5-8(7(2)11)3-4-9(6)10/h3-5H,2,11H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)ethenamine?
1-(4-fluoro-3-methylphenyl)ethenamine has a molecular weight of 151.18 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)ethenamine is sourced from PubChem (CID 22980809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).