N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline

C14H18ClF3N2 — CID 65384687

IUPACN-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline
SMILESNCC1(Nc2ccc(Cl)cc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H18ClF3N2/c15-11-1-3-12(4-2-11)20-13(9-19)7-5-10(6-8-13)14(16,17)18/h1-4,10,20H,5-9,19H2
InChIKeyYQDVNZMDDBCGJW-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.20
Rot. Bonds3

About N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline

N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline (PubChem CID 65384687) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline
PubChem CID65384687
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC NameN-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline
SMILESNCC1(Nc2ccc(Cl)cc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H18ClF3N2/c15-11-1-3-12(4-2-11)20-13(9-19)7-5-10(6-8-13)14(16,17)18/h1-4,10,20H,5-9,19H2
InChIKeyYQDVNZMDDBCGJW-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(4-chlorophenyl)cyclooctan-1-amine
CID 65382773
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
CID 65377332
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-4-bromoaniline
CID 65385986
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
4-(aminomethyl)-N-(4-chlorophenyl)oxepan-4-amine
CID 65383827
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-4-bromoaniline
CID 65383021
2-[[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 65379525
4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine
CID 106298388
3-(aminomethyl)-N-(4-chlorophenyl)-5,5-dimethylthian-3-amine
CID 79958846
1-(aminomethyl)-N-[3-chloro-5-(trifluoromethyl)phenyl]cycloheptan-1-amine
CID 116699208
4-(aminomethyl)-N-(4-fluorophenyl)piperidin-4-amine
CID 105480872

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline?
The IUPAC name of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline (CID 65384687) is N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline?
The canonical SMILES for N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline is NCC1(Nc2ccc(Cl)cc2)CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline?
The InChIKey is YQDVNZMDDBCGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c15-11-1-3-12(4-2-11)20-13(9-19)7-5-10(6-8-13)14(16,17)18/h1-4,10,20H,5-9,19H2.
What are the key properties of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline?
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline has a molecular weight of 306.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-4-chloroaniline is sourced from PubChem (CID 65384687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).