N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine

C12H16FN — CID 130625932

IUPACN-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
SMILESCc1cc(F)ccc1C(C)NC1CC1
InChIInChI=1S/C12H16FN/c1-8-7-10(13)3-6-12(8)9(2)14-11-4-5-11/h3,6-7,9,11,14H,4-5H2,1-2H3
InChIKeyOPIAODBFWLFSOK-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.95
Rot. Bonds3

About N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine

N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine (PubChem CID 130625932) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
PubChem CID130625932
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC NameN-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine
SMILESCc1cc(F)ccc1C(C)NC1CC1
InChIInChI=1S/C12H16FN/c1-8-7-10(13)3-6-12(8)9(2)14-11-4-5-11/h3,6-7,9,11,14H,4-5H2,1-2H3
InChIKeyOPIAODBFWLFSOK-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
3-[1-(4-fluoro-2-methylphenyl)ethylamino]azetidine-1-carboxylic acid
CID 68594176
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
5-fluoro-2-[1-[(4-methylcyclohexyl)amino]ethyl]phenol
CID 55145915
N-[1-(2,4-difluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086758
4-tert-butyl-N-[1-(2,4-dimethylphenyl)ethyl]cyclohexan-1-amine
CID 63448931
4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 122034889
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
2-chloro-N-cyclopropyl-2-(4-fluoro-2-methylphenyl)acetamide
CID 62224965
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
CID 103776164

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine (CID 130625932) is N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine is Cc1cc(F)ccc1C(C)NC1CC1.
What is the InChIKey of N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine?
The InChIKey is OPIAODBFWLFSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-7-10(13)3-6-12(8)9(2)14-11-4-5-11/h3,6-7,9,11,14H,4-5H2,1-2H3.
What are the key properties of N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine?
N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine has a molecular weight of 193.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-2-methylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 130625932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).