N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine

C16H22F3N — CID 62595704

IUPACN-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-3-15(4-2,11-20-14-8-9-14)12-6-5-7-13(10-12)16(17,18)19/h5-7,10,14,20H,3-4,8-9,11H2,1-2H3
InChIKeyKRXVOVYEXJXNKJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.52
Rot. Bonds6

About N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine

N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine (PubChem CID 62595704) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine
PubChem CID62595704
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-3-15(4-2,11-20-14-8-9-14)12-6-5-7-13(10-12)16(17,18)19/h5-7,10,14,20H,3-4,8-9,11H2,1-2H3
InChIKeyKRXVOVYEXJXNKJ-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-propan-2-yl-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 63511400
2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 62596429
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine
CID 63508646
N-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]cyclopropanamine
CID 60687304
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
N-[2-[[3-(trifluoromethyl)phenyl]methyl]pentyl]cyclopropanamine
CID 62528327
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191
N-[2-(2-chloro-4-fluorophenyl)-2-ethylbutyl]cyclopropanamine
CID 63038280
(1R)-1-[(3R)-pyrrolidin-3-yl]-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 125492642
N-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]cyclopropanamine
CID 43287376
4-[3-(1,1-difluoropropyl)phenyl]-N-methylcyclohexan-1-amine
CID 116992553

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine (CID 62595704) is N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine is CCC(CC)(CNC1CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
The InChIKey is KRXVOVYEXJXNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-15(4-2,11-20-14-8-9-14)12-6-5-7-13(10-12)16(17,18)19/h5-7,10,14,20H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine?
N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine has a molecular weight of 285.35 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-[3-(trifluoromethyl)phenyl]butyl]cyclopropanamine is sourced from PubChem (CID 62595704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).