N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine

C16H22F3N — CID 62528327

IUPACN-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-2-4-13(11-20-15-7-8-15)9-12-5-3-6-14(10-12)16(17,18)19/h3,5-6,10,13,15,20H,2,4,7-9,11H2,1H3
InChIKeyCMZWADRJFMNCBH-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.42
Rot. Bonds7

About N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine

N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine (PubChem CID 62528327) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine
PubChem CID62528327
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-2-4-13(11-20-15-7-8-15)9-12-5-3-6-14(10-12)16(17,18)19/h3,5-6,10,13,15,20H,2,4,7-9,11H2,1H3
InChIKeyCMZWADRJFMNCBH-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-[2-[(3,4-dimethylphenyl)methyl]pentyl]cyclopropanamine
CID 62528938
N-[2-[(3-methylphenyl)methyl]-4-(trifluoromethylsulfanyl)butyl]cyclopropanamine
CID 116617646
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-[2-[(3-chlorophenyl)methyl]octyl]cyclopropanamine
CID 63521924
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
N-(5-phenyl-2-propylpentyl)cyclopropanamine
CID 63498686
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
CID 106705939

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine?
The IUPAC name of N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine (CID 62528327) is N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine is CCCC(CNC1CC1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine?
The InChIKey is CMZWADRJFMNCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-4-13(11-20-15-7-8-15)9-12-5-3-6-14(10-12)16(17,18)19/h3,5-6,10,13,15,20H,2,4,7-9,11H2,1H3.
What are the key properties of N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine?
N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine has a molecular weight of 285.35 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine is sourced from PubChem (CID 62528327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).