N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine

C20H33N — CID 107179564

IUPACN-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)C1CCCCC1(C)C
InChIInChI=1S/C20H33N/c1-5-14-21-19(15-17-11-7-6-10-16(17)2)18-12-8-9-13-20(18,3)4/h6-7,10-11,18-19,21H,5,8-9,12-15H2,1-4H3
InChIKeyLPBHOPRPHSCHRQ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.12
Rot. Bonds6

About N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine

N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 107179564) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID107179564
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)C1CCCCC1(C)C
InChIInChI=1S/C20H33N/c1-5-14-21-19(15-17-11-7-6-10-16(17)2)18-12-8-9-13-20(18,3)4/h6-7,10-11,18-19,21H,5,8-9,12-15H2,1-4H3
InChIKeyLPBHOPRPHSCHRQ-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,2-dimethylcyclohexyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 107179519
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
N-[2-(2-chloro-4-methylphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107191840
1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
CID 107183698
N-[2-(2,5-dichlorophenyl)-1-(2,2-dimethylcyclopentyl)ethyl]propan-1-amine
CID 107189010
N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 79058648
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538
2-(3-chloro-2-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107191654
1-(2,2-dimethylcyclohexyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 107179603
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
N-[1-(1-ethoxycyclopentyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 116762389
N-[1-(2,2-dimethylcyclopentyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107190647

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 107179564) is N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1C)C1CCCCC1(C)C.
What is the InChIKey of N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is LPBHOPRPHSCHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-14-21-19(15-17-11-7-6-10-16(17)2)18-12-8-9-13-20(18,3)4/h6-7,10-11,18-19,21H,5,8-9,12-15H2,1-4H3.
What are the key properties of N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylcyclohexyl)-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107179564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).