3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine

C13H17F3N2 — CID 79461380

IUPAC3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)10-3-1-9(2-4-10)8-18-12-6-5-11(17)7-12/h1-4,11-12,18H,5-8,17H2
InChIKeyKMVRKNWPLCDNBA-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.67
Rot. Bonds3

About 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine

3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine (PubChem CID 79461380) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
PubChem CID79461380
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)10-3-1-9(2-4-10)8-18-12-6-5-11(17)7-12/h1-4,11-12,18H,5-8,17H2
InChIKeyKMVRKNWPLCDNBA-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
N-[[4-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 60699978
4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
CID 79462597
3-N-[(4-methylsulfonylphenyl)methyl]cyclopentane-1,3-diamine
CID 79461145
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
4-[[(3-aminocyclohexyl)amino]methyl]phenol
CID 114331392
1-N-[(4-ethylphenyl)methyl]cyclohexane-1,3-diamine
CID 106899393
N-[[4-(trifluoromethyl)phenyl]methyl]thian-3-amine
CID 62880283
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine
CID 106415423
[4-[[(4-aminocyclohexyl)amino]methyl]phenyl]methanol
CID 107229924
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541

Frequently Asked Questions

What is the IUPAC name of 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine (CID 79461380) is 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine is NC1CCC(NCc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine?
The InChIKey is KMVRKNWPLCDNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)10-3-1-9(2-4-10)8-18-12-6-5-11(17)7-12/h1-4,11-12,18H,5-8,17H2.
What are the key properties of 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine?
3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine has a molecular weight of 258.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79461380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).