1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

C18H30N2 — CID 79065926

IUPAC1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(c1ccc(C)cc1)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H30N2/c1-5-19-17(16-11-9-15(2)10-12-16)18(20(3)4)13-7-6-8-14-18/h9-12,17,19H,5-8,13-14H2,1-4H3
InChIKeyUDUAZPLTPZQPQF-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds5

About 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine

1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79065926) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79065926
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
SMILESCCNC(c1ccc(C)cc1)C1(N(C)C)CCCCC1
InChIInChI=1S/C18H30N2/c1-5-19-17(16-11-9-15(2)10-12-16)18(20(3)4)13-7-6-8-14-18/h9-12,17,19H,5-8,13-14H2,1-4H3
InChIKeyUDUAZPLTPZQPQF-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
CID 79070156
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243774
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
CID 79069984
[1-(dimethylamino)cycloheptyl]-(4-methylphenyl)methanol
CID 79075014
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
1-[1-(dimethylamino)cyclohexyl]-2-(4-methylphenyl)ethanol
CID 79066048
1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065998
1-[(2,5-dichlorophenyl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79062523

Frequently Asked Questions

What is the IUPAC name of 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine (CID 79065926) is 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is CCNC(c1ccc(C)cc1)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is UDUAZPLTPZQPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-19-17(16-11-9-15(2)10-12-16)18(20(3)4)13-7-6-8-14-18/h9-12,17,19H,5-8,13-14H2,1-4H3.
What are the key properties of 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine?
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79065926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).