4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline

C15H23FN2 — CID 113295421

IUPAC4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1N(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C15H23FN2/c1-11-5-3-4-6-15(11)18(2)13-8-7-12(10-17)14(16)9-13/h7-9,11,15H,3-6,10,17H2,1-2H3
InChIKeyPJWULPPJXXRMRA-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.30
Rot. Bonds3

About 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline

4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline (PubChem CID 113295421) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
PubChem CID113295421
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1N(C)c1ccc(CN)c(F)c1
InChIInChI=1S/C15H23FN2/c1-11-5-3-4-6-15(11)18(2)13-8-7-12(10-17)14(16)9-13/h7-9,11,15H,3-6,10,17H2,1-2H3
InChIKeyPJWULPPJXXRMRA-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 64770644
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
2-[4-(aminomethyl)-N-cyclopentyl-3-fluoroanilino]ethanol
CID 113295415
1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine
CID 62912657
2-[2-amino-5-[methyl-(2-methylcyclohexyl)amino]phenyl]acetonitrile
CID 102624125
4-(aminomethyl)-N,N-diethyl-3-fluoroaniline
CID 115366634
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-fluoro-N-methylaniline
CID 115366879
4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 113295417
2-amino-5-[methyl-(2-methylcyclohexyl)amino]benzonitrile
CID 113323918
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 106785394
4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55004836
3-[methyl-(2-methylcyclohexyl)amino]phenol
CID 139614787

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline (CID 113295421) is 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline is CC1CCCCC1N(C)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline?
The InChIKey is PJWULPPJXXRMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-5-3-4-6-15(11)18(2)13-8-7-12(10-17)14(16)9-13/h7-9,11,15H,3-6,10,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline?
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline has a molecular weight of 250.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 113295421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).