N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine

C14H18F3N — CID 81019662

IUPACN-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-10(8-9-18-13-6-7-13)11-2-4-12(5-3-11)14(15,16)17/h2-5,10,13,18H,6-9H2,1H3
InChIKeyQUVOSQCTDCNFNS-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.95
Rot. Bonds5

About N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine

N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine (PubChem CID 81019662) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
PubChem CID81019662
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
SMILESCC(CCNC1CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-10(8-9-18-13-6-7-13)11-2-4-12(5-3-11)14(15,16)17/h2-5,10,13,18H,6-9H2,1H3
InChIKeyQUVOSQCTDCNFNS-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(4-propan-2-yloxyphenyl)butyl]cyclopropanamine
CID 81019318
4-[4-(cyclobutylamino)butan-2-yl]aniline
CID 104501639
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
N-(3-thiophen-3-ylbutyl)cyclopropanamine
CID 81020128
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine
CID 81018611
4-[3-[4-(trifluoromethyl)phenyl]butanoylamino]cyclohexane-1-carboxylic acid
CID 119230390
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 119623905
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 117244514

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
The IUPAC name of N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine (CID 81019662) is N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
The canonical SMILES for N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine is CC(CCNC1CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
The InChIKey is QUVOSQCTDCNFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10(8-9-18-13-6-7-13)11-2-4-12(5-3-11)14(15,16)17/h2-5,10,13,18H,6-9H2,1H3.
What are the key properties of N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine has a molecular weight of 257.30 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine is sourced from PubChem (CID 81019662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).