4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine

C17H28N2 — CID 116952300

IUPAC4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCNC(c1cc(C)c(C)cc1C)C1CCC(N)CC1
InChIInChI=1S/C17H28N2/c1-11-9-13(3)16(10-12(11)2)17(19-4)14-5-7-15(18)8-6-14/h9-10,14-15,17,19H,5-8,18H2,1-4H3
InChIKeyDJIMPKUJAYFBJQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.39
Rot. Bonds3

About 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine

4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine (PubChem CID 116952300) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine
PubChem CID116952300
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine
SMILESCNC(c1cc(C)c(C)cc1C)C1CCC(N)CC1
InChIInChI=1S/C17H28N2/c1-11-9-13(3)16(10-12(11)2)17(19-4)14-5-7-15(18)8-6-14/h9-10,14-15,17,19H,5-8,18H2,1-4H3
InChIKeyDJIMPKUJAYFBJQ-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116952452
N-methyl-1-(4-propylcyclohexyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 65424736
4-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 116952308
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 115998144
3-[(4,5-dimethoxy-2-methylphenyl)-(methylamino)methyl]cyclobutan-1-amine
CID 116952458
N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 104990570
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 81045986
N-methyl-1-(thiolan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 80622016
4-[cyclopropyl(methylamino)methyl]cyclohexan-1-amine
CID 142323117
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990064

Frequently Asked Questions

What is the IUPAC name of 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine (CID 116952300) is 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine is CNC(c1cc(C)c(C)cc1C)C1CCC(N)CC1.
What is the InChIKey of 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is DJIMPKUJAYFBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-11-9-13(3)16(10-12(11)2)17(19-4)14-5-7-15(18)8-6-14/h9-10,14-15,17,19H,5-8,18H2,1-4H3.
What are the key properties of 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine?
4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylamino-(2,4,5-trimethylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116952300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).