[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine

C11H14FN — CID 83856209

IUPAC[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine
SMILESNCc1ccc(C(F)C2CC2)cc1
InChIInChI=1S/C11H14FN/c12-11(10-5-6-10)9-3-1-8(7-13)2-4-9/h1-4,10-11H,5-7,13H2
InChIKeyBVJVHARYRCTMBK-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.57
Rot. Bonds3

About [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine

[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine (PubChem CID 83856209) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine
PubChem CID83856209
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine
SMILESNCc1ccc(C(F)C2CC2)cc1
InChIInChI=1S/C11H14FN/c12-11(10-5-6-10)9-3-1-8(7-13)2-4-9/h1-4,10-11H,5-7,13H2
InChIKeyBVJVHARYRCTMBK-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(1-cyclobutyl-2-fluoroethyl)phenyl]methanamine
CID 115025387
[4-(1-cycloheptylethyl)phenyl]methanamine
CID 115038542
(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
CID 150978200
2-[4-[cyclobutyl(fluoro)methyl]phenyl]acetic acid
CID 115033268
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572
1-[4-(aminomethyl)phenyl]-1-cyclopentyl-N,N-dimethylmethanamine
CID 116907172
[4-(3-methylbutan-2-yl)phenyl]methanamine
CID 115015008
4-[(4-bromophenyl)-fluoromethyl]thiane
CID 115052569
1-bromo-4-[cyclopentyl(fluoro)methyl]benzene
CID 115047951
[4-(aminomethyl)phenyl]-(1,1-dioxothian-4-yl)methanol
CID 115050223
1-[2-[1-[4-(aminomethyl)phenyl]ethyl]cyclopropyl]ethanol
CID 174775729
1-[4-(aminomethyl)phenyl]-1-fluoro-3-methylbutan-2-one
CID 176742060

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine?
The IUPAC name of [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine (CID 83856209) is [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine?
The canonical SMILES for [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine is NCc1ccc(C(F)C2CC2)cc1.
What is the InChIKey of [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine?
The InChIKey is BVJVHARYRCTMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-11(10-5-6-10)9-3-1-8(7-13)2-4-9/h1-4,10-11H,5-7,13H2.
What are the key properties of [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine?
[4-[cyclopropyl(fluoro)methyl]phenyl]methanamine has a molecular weight of 179.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl(fluoro)methyl]phenyl]methanamine is sourced from PubChem (CID 83856209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).