N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine

C17H28N2 — CID 115213715

IUPACN-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(CNCCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-14-3-5-15(6-4-14)11-12-19-13-16-7-9-17(18-2)10-8-16/h3-6,16-19H,7-13H2,1-2H3
InChIKeyCAQWCIMJJPSTJF-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.91
Rot. Bonds6

About N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine

N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine (PubChem CID 115213715) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine
PubChem CID115213715
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(CNCCc2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2/c1-14-3-5-15(6-4-14)11-12-19-13-16-7-9-17(18-2)10-8-16/h3-6,16-19H,7-13H2,1-2H3
InChIKeyCAQWCIMJJPSTJF-UHFFFAOYSA-N
XLogP2.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine
CID 55192739
N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538182
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
CID 59231059
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
4-[[2-(4-fluoro-3-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 115239906
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
1-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43434536

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine (CID 115213715) is N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine is CNC1CCC(CNCCc2ccc(C)cc2)CC1.
What is the InChIKey of N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine?
The InChIKey is CAQWCIMJJPSTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-3-5-15(6-4-14)11-12-19-13-16-7-9-17(18-2)10-8-16/h3-6,16-19H,7-13H2,1-2H3.
What are the key properties of N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine?
N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).