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

C18H29N — CID 82933275

IUPACN-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1C)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-13-19-14-18(16-10-5-4-6-11-16)17-12-8-7-9-15(17)2/h7-9,12,16,18-19H,3-6,10-11,13-14H2,1-2H3
InChIKeyDWSSBLJRCONIKM-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.66
Rot. Bonds6

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

N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 82933275) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID82933275
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1C)C1CCCCC1
InChIInChI=1S/C18H29N/c1-3-13-19-14-18(16-10-5-4-6-11-16)17-12-8-7-9-15(17)2/h7-9,12,16,18-19H,3-6,10-11,13-14H2,1-2H3
InChIKeyDWSSBLJRCONIKM-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-2-amine
CID 82932644
N-[2-(3-chloro-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 82936250
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 104819492
N-[2-cyclohexyl-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 82933166
N-[(2R)-2-cyclohexyl-2-phenylethyl]butan-1-amine
CID 125466458
N-[2-cyclopentyl-2-(2,4-dichlorophenyl)ethyl]propan-1-amine
CID 82936979
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011663
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[2-(2-bromophenyl)-2-cyclohexylethyl]-2-methylpropan-1-amine
CID 82936298
3-cyclopentyl-3-(2-methylphenyl)propanamide
CID 82082222
N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 106204944

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine (CID 82933275) is N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNCC(c1ccccc1C)C1CCCCC1.
What is the InChIKey of N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is DWSSBLJRCONIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-13-19-14-18(16-10-5-4-6-11-16)17-12-8-7-9-15(17)2/h7-9,12,16,18-19H,3-6,10-11,13-14H2,1-2H3.
What are the key properties of N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 82933275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).