[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine

C12H16FN — CID 82401788

IUPAC[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
SMILESCc1cc(CC2(CN)CC2)ccc1F
InChIInChI=1S/C12H16FN/c1-9-6-10(2-3-11(9)13)7-12(8-14)4-5-12/h2-3,6H,4-5,7-8,14H2,1H3
InChIKeyQAVYXSJRMUULIA-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.42
Rot. Bonds3

About [1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine

[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine (PubChem CID 82401788) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is [1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
PubChem CID82401788
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
SMILESCc1cc(CC2(CN)CC2)ccc1F
InChIInChI=1S/C12H16FN/c1-9-6-10(2-3-11(9)13)7-12(8-14)4-5-12/h2-3,6H,4-5,7-8,14H2,1H3
InChIKeyQAVYXSJRMUULIA-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[2-(4-fluoro-3-methylphenyl)ethyl]cyclobutyl]methanamine
CID 90212397
[1-[(4-methoxy-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82283087
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256614
[4-butyl-1-[(3,4-difluorophenyl)methyl]cyclohexyl]methanamine
CID 82925896
1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82291603
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methanamine
CID 107897457
[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105410611
[4,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390376
[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
CID 116929036
[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine
CID 116929013
[1-[(3-methylquinolin-6-yl)methyl]cyclopropyl]methanamine
CID 116997478

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine (CID 82401788) is [1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine is Cc1cc(CC2(CN)CC2)ccc1F.
What is the InChIKey of [1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine?
The InChIKey is QAVYXSJRMUULIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9-6-10(2-3-11(9)13)7-12(8-14)4-5-12/h2-3,6H,4-5,7-8,14H2,1H3.
What are the key properties of [1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine?
[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine has a molecular weight of 193.26 g/mol, XLogP of 2.42, 3 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)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 82401788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).