N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine

C19H31NO — CID 63475863

IUPACN-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNCC(OC1CCC(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C19H31NO/c1-4-13-20-14-19(17-9-5-15(2)6-10-17)21-18-11-7-16(3)8-12-18/h5-6,9-10,16,18-20H,4,7-8,11-14H2,1-3H3
InChIKeyDXNBNIRZAINKGV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.63
Rot. Bonds7

About N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine

N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 63475863) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID63475863
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNCC(OC1CCC(C)CC1)c1ccc(C)cc1
InChIInChI=1S/C19H31NO/c1-4-13-20-14-19(17-9-5-15(2)6-10-17)21-18-11-7-16(3)8-12-18/h5-6,9-10,16,18-20H,4,7-8,11-14H2,1-3H3
InChIKeyDXNBNIRZAINKGV-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.63
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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Related Compounds

N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
CID 63474259
N-methyl-2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethanamine
CID 62108098
N-[2-(4-fluorophenyl)-2-(oxan-4-yloxy)ethyl]propan-1-amine
CID 62107691
2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
CID 55036283
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
N-[2-(2-methylpentoxy)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 103285227
N-[2-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958751
N-[2-(2-chlorophenyl)-2-cyclobutyloxyethyl]propan-1-amine
CID 62381645
2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 64744560
N-[2-cyclobutyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62381823
N-[2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 62106999
[2-iodo-1-(4-methylphenyl)ethoxy]cycloheptane
CID 114773753

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine (CID 63475863) is N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine is CCCNCC(OC1CCC(C)CC1)c1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is DXNBNIRZAINKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-20-14-19(17-9-5-15(2)6-10-17)21-18-11-7-16(3)8-12-18/h5-6,9-10,16,18-20H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine?
N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63475863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).