N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine

C16H16FN — CID 90204582

IUPACN-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine
SMILESFc1ccc(C2CC2NCc2ccccc2)cc1
InChIInChI=1S/C16H16FN/c17-14-8-6-13(7-9-14)15-10-16(15)18-11-12-4-2-1-3-5-12/h1-9,15-16,18H,10-11H2
InChIKeyUJQIUNUAVOWVOY-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.47
Rot. Bonds4

About N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine

N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine (PubChem CID 90204582) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine
PubChem CID90204582
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC NameN-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine
SMILESFc1ccc(C2CC2NCc2ccccc2)cc1
InChIInChI=1S/C16H16FN/c17-14-8-6-13(7-9-14)15-10-16(15)18-11-12-4-2-1-3-5-12/h1-9,15-16,18H,10-11H2
InChIKeyUJQIUNUAVOWVOY-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
CID 46869734
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
1-[4-[[[2-(4-fluorophenyl)cyclopropyl]amino]methyl]phenyl]-10-hydroxydecane-1,9-dione
CID 158467669
benzyl 2-fluoro-4-[[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 175748356
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
(3S,4R)-N-benzyl-4-(3,4-difluorophenyl)pyrrolidin-3-amine
CID 67249530
2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline
CID 82840790
5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]pyrimidin-2-amine
CID 56639915
N-benzyl-2,2,2-trifluoro-N-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropyl]phenyl]acetamide
CID 118304147
N-benzyl-2,2,2-trifluoro-N-[4-[2-[(4-methylphenyl)methylamino]cyclopropyl]phenyl]acetamide
CID 118304996
trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
CID 174043100
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine (CID 90204582) is N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine is Fc1ccc(C2CC2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine?
The InChIKey is UJQIUNUAVOWVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c17-14-8-6-13(7-9-14)15-10-16(15)18-11-12-4-2-1-3-5-12/h1-9,15-16,18H,10-11H2.
What are the key properties of N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine?
N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 90204582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).