N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine

C19H31NO — CID 104648371

IUPACN-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine
SMILESCCNC1CCC(c2ccccc2)CC1CCCCOC
InChIInChI=1S/C19H31NO/c1-3-20-19-13-12-17(16-9-5-4-6-10-16)15-18(19)11-7-8-14-21-2/h4-6,9-10,17-20H,3,7-8,11-15H2,1-2H3
InChIKeyGHLXQMKOGFKYEP-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.37
Rot. Bonds8

About N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine

N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine (PubChem CID 104648371) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine
PubChem CID104648371
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine
SMILESCCNC1CCC(c2ccccc2)CC1CCCCOC
InChIInChI=1S/C19H31NO/c1-3-20-19-13-12-17(16-9-5-4-6-10-16)15-18(19)11-7-8-14-21-2/h4-6,9-10,17-20H,3,7-8,11-15H2,1-2H3
InChIKeyGHLXQMKOGFKYEP-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine (CID 104648371) is N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine is CCNC1CCC(c2ccccc2)CC1CCCCOC.
What is the InChIKey of N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine?
The InChIKey is GHLXQMKOGFKYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-20-19-13-12-17(16-9-5-4-6-10-16)15-18(19)11-7-8-14-21-2/h4-6,9-10,17-20H,3,7-8,11-15H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine?
N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methoxybutyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 104648371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).