trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine

C16H16FN — CID 46869734

IUPACtrans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
SMILESFc1ccc(CN[C@@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H16FN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m0/s1
InChIKeyLUVOTYXXGWODOF-JKSUJKDBSA-N
MW241.31 g/mol
LogP3.47
Rot. Bonds4

About trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine

trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 46869734) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID46869734
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Nametrans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine
SMILESFc1ccc(CN[C@@H]2C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H16FN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m0/s1
InChIKeyLUVOTYXXGWODOF-JKSUJKDBSA-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

N-benzyl-2-(4-fluorophenyl)cyclopropan-1-amine
CID 90204582
trans-(1R,2S)-2-phenyl-N-(pyridin-3-ylmethyl)cyclopropan-1-amine
CID 46869803
trans-(1R,2R)-1-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 18660068
1-[2-(4-fluorophenyl)ethyl]-3-(2-phenylcyclopropyl)urea
CID 86843833
2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline
CID 82840790
(4-fluorophenyl)methyl 4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 130453404
1-[4-[[[2-(4-fluorophenyl)cyclopropyl]amino]methyl]phenyl]-10-hydroxydecane-1,9-dione
CID 158467669
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
N-(azetidin-3-ylmethyl)-2-phenylcyclopropan-1-amine
CID 78097230
trans-(1R,2S)-2-phenyl-N-(thiophen-2-ylmethyl)cyclopropan-1-amine
CID 46869807
(3S,4R)-4-[(4-fluorophenyl)methylamino]oxolan-3-ol
CID 93384215
N-[(4-fluorophenyl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64774535

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine (CID 46869734) is trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine is Fc1ccc(CN[C@@H]2C[C@H]2c2ccccc2)cc1.
What is the InChIKey of trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is LUVOTYXXGWODOF-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H16FN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine?
trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-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 trans-(1R,2S)-N-[(4-fluorophenyl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 46869734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).