1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine

C12H17FN2 — CID 115256614

IUPAC1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine
SMILESCc1cc(CNCC2(N)CC2)ccc1F
InChIInChI=1S/C12H17FN2/c1-9-6-10(2-3-11(9)13)7-15-8-12(14)4-5-12/h2-3,6,15H,4-5,7-8,14H2,1H3
InChIKeyWGTIDVXFALFVJC-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.72
Rot. Bonds4

About 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine

1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine (PubChem CID 115256614) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine
PubChem CID115256614
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine
SMILESCc1cc(CNCC2(N)CC2)ccc1F
InChIInChI=1S/C12H17FN2/c1-9-6-10(2-3-11(9)13)7-15-8-12(14)4-5-12/h2-3,6,15H,4-5,7-8,14H2,1H3
InChIKeyWGTIDVXFALFVJC-UHFFFAOYSA-N
XLogP1.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114623
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63452843
N'-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204862
4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213421
[1-[(4-fluoro-3-methylphenyl)methyl]cyclopropyl]methanamine
CID 82401788
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131868
1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropan-1-amine
CID 115256643
3,3,3-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63226166
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 63378460

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine (CID 115256614) is 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine is Cc1cc(CNCC2(N)CC2)ccc1F.
What is the InChIKey of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine?
The InChIKey is WGTIDVXFALFVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-6-10(2-3-11(9)13)7-15-8-12(14)4-5-12/h2-3,6,15H,4-5,7-8,14H2,1H3.
What are the key properties of 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine?
1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine has a molecular weight of 208.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-fluoro-3-methylphenyl)methylamino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).