N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine

C14H18F3N — CID 106210330

IUPACN-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCCC(NC1(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C14H18F3N/c1-2-6-12(11-7-4-3-5-8-11)18-13(9-10-13)14(15,16)17/h3-5,7-8,12,18H,2,6,9-10H2,1H3
InChIKeyGSUWNFYTNAJWBL-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.21
Rot. Bonds5

About N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210330) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210330
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCCC(NC1(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C14H18F3N/c1-2-6-12(11-7-4-3-5-8-11)18-13(9-10-13)14(15,16)17/h3-5,7-8,12,18H,2,6,9-10H2,1H3
InChIKeyGSUWNFYTNAJWBL-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210182
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-[phenyl(pyridin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106209971
N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
CID 102868679
N-[(2-methylpropan-2-yl)oxy]-1-phenylbutan-1-amine
CID 82719997
4-[(1-phenylbutylamino)methyl]oxan-4-ol
CID 81130769
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
2,6-difluoro-N-(1-phenylbutyl)aniline
CID 43123906
2,2,2-trifluoroethyl N-(1-phenylbutyl)carbamate
CID 60705858
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-phenylbutan-1-amine
CID 103903827
ethane;[(2S)-1,1,1-trifluoropentan-2-yl]benzene
CID 170769843

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210330) is N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine is CCCC(NC1(C(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is GSUWNFYTNAJWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-6-12(11-7-4-3-5-8-11)18-13(9-10-13)14(15,16)17/h3-5,7-8,12,18H,2,6,9-10H2,1H3.
What are the key properties of N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 257.30 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).