N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline

C14H18ClF3N2 — CID 116698793

IUPACN-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline
SMILESNCC1CCCCC1Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2/c15-11-5-10(14(16,17)18)6-12(7-11)20-13-4-2-1-3-9(13)8-19/h5-7,9,13,20H,1-4,8,19H2
InChIKeyHWIOLGILHPXYGQ-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.29
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline

N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline (PubChem CID 116698793) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline
PubChem CID116698793
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline
SMILESNCC1CCCCC1Nc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H18ClF3N2/c15-11-5-10(14(16,17)18)6-12(7-11)20-13-4-2-1-3-9(13)8-19/h5-7,9,13,20H,1-4,8,19H2
InChIKeyHWIOLGILHPXYGQ-UHFFFAOYSA-N
XLogP4.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(2-ethylcyclohexyl)-5-(trifluoromethyl)aniline
CID 116698835
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
4-N-[3-chloro-5-(trifluoromethyl)phenyl]cyclohexane-1,4-diamine
CID 116699040
2-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopropylpropane-1,2-diamine
CID 116699196
N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylcycloheptan-1-amine
CID 116698915
1-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]cycloheptan-1-amine
CID 116699208
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
CID 79727754
N-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 116698868
3-chloro-N-[(4-methylcyclohexyl)methyl]-5-(trifluoromethyl)aniline
CID 116699074
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
CID 119602942
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
1-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylguanidine
CID 116701068

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline (CID 116698793) is N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline is NCC1CCCCC1Nc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline?
The InChIKey is HWIOLGILHPXYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c15-11-5-10(14(16,17)18)6-12(7-11)20-13-4-2-1-3-9(13)8-19/h5-7,9,13,20H,1-4,8,19H2.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline?
N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline has a molecular weight of 306.76 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-chloro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 116698793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).