N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline

C15H20ClF3N2 — CID 116699275

IUPACN-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline
SMILESCC1(C)CCCC1(CN)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2/c1-13(2)4-3-5-14(13,9-20)21-12-7-10(15(17,18)19)6-11(16)8-12/h6-8,21H,3-5,9,20H2,1-2H3
InChIKeyDZLYFLSBKQJCAB-UHFFFAOYSA-N
MW320.79 g/mol
LogP4.68
Rot. Bonds3

About N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline

N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline (PubChem CID 116699275) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline
PubChem CID116699275
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC NameN-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline
SMILESCC1(C)CCCC1(CN)Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2/c1-13(2)4-3-5-14(13,9-20)21-12-7-10(15(17,18)19)6-11(16)8-12/h6-8,21H,3-5,9,20H2,1-2H3
InChIKeyDZLYFLSBKQJCAB-UHFFFAOYSA-N
XLogP4.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]cycloheptan-1-amine
CID 116699208
4-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]thian-4-amine
CID 116699276
3-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]thian-3-amine
CID 116699251
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-(1-methylcyclopropyl)propane-1,2-diamine
CID 116699227
4-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-methyloxan-4-amine
CID 116699201
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-3-ethylpentane-1,2-diamine
CID 116699247
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
2-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 116699767
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 116698868
[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 117112227
N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 116700910
3-chloro-N-methyl-5-(trifluoromethyl)aniline;ethane
CID 144857976

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline (CID 116699275) is N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline is CC1(C)CCCC1(CN)Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline?
The InChIKey is DZLYFLSBKQJCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-13(2)4-3-5-14(13,9-20)21-12-7-10(15(17,18)19)6-11(16)8-12/h6-8,21H,3-5,9,20H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline?
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline has a molecular weight of 320.79 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-3-chloro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116699275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).