N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

C14H19F3N2 — CID 117244514

IUPACN'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNC(CNC1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-7-5-10(6-8-11)13(18)9-19-12-3-1-2-4-12/h5-8,12-13,19H,1-4,9,18H2
InChIKeySRCCLDVGOPZTBJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.24
Rot. Bonds4

About N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine

N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 117244514) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID117244514
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESNC(CNC1CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)11-7-5-10(6-8-11)13(18)9-19-12-3-1-2-4-12/h5-8,12-13,19H,1-4,9,18H2
InChIKeySRCCLDVGOPZTBJ-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
CID 69494477
(1R)-2-fluoro-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 130899133
1-[2,6-bis[4-(trifluoromethyl)phenyl]-4-pyridinyl]-2-(cyclohexylamino)ethanol
CID 90669221
2-cyclopropyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 67981332
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 171211545
2-(cyclohexylamino)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60998512
N-[3-[4-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 81019662
cyclooctyl-[4-(trifluoromethyl)phenyl]methanol
CID 80603410
3-[1-amino-2-(cyclobutylamino)ethyl]phenol
CID 117242584
1-(2-bromophenyl)-N'-cyclopentylethane-1,2-diamine
CID 117243579

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 117244514) is N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is NC(CNC1CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is SRCCLDVGOPZTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)11-7-5-10(6-8-11)13(18)9-19-12-3-1-2-4-12/h5-8,12-13,19H,1-4,9,18H2.
What are the key properties of N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 272.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 117244514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).