N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline

C15H21F3N2O — CID 65377332

IUPACN-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
SMILESCOc1cccc(NC2(CN)CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C15H21F3N2O/c1-21-13-4-2-3-12(9-13)20-14(10-19)7-5-11(6-8-14)15(16,17)18/h2-4,9,11,20H,5-8,10,19H2,1H3
InChIKeyYHEJVFGDQNUXLL-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.56
Rot. Bonds4

About N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline

N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline (PubChem CID 65377332) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
PubChem CID65377332
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
SMILESCOc1cccc(NC2(CN)CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C15H21F3N2O/c1-21-13-4-2-3-12(9-13)20-14(10-19)7-5-11(6-8-14)15(16,17)18/h2-4,9,11,20H,5-8,10,19H2,1H3
InChIKeyYHEJVFGDQNUXLL-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3-methoxyphenyl)-1-propylpiperidin-4-amine
CID 65377742
3-(aminomethyl)-N-(3-methoxyphenyl)-5-methylthiolan-3-amine
CID 79950466
4-(aminomethyl)-N-(3-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65378995
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-methoxyaniline
CID 79846865
N-[1-(aminomethyl)-2,4,4-trimethylcyclopentyl]-3-methoxyaniline
CID 106663198
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758791
1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
CID 65383824
[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754690
1-(3-methoxyanilino)-4-methylcyclohexane-1-carbonitrile
CID 54887163
[1-ethyl-4-(3-methoxyanilino)piperidin-4-yl]methanol
CID 61048674
1-(aminomethyl)-N-(4-methoxyphenyl)cyclooctan-1-amine
CID 65383457

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline?
The IUPAC name of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline (CID 65377332) is N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline?
The canonical SMILES for N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline is COc1cccc(NC2(CN)CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline?
The InChIKey is YHEJVFGDQNUXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-21-13-4-2-3-12(9-13)20-14(10-19)7-5-11(6-8-14)15(16,17)18/h2-4,9,11,20H,5-8,10,19H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline?
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline has a molecular weight of 302.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline is sourced from PubChem (CID 65377332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).