N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine

C19H31NO2 — CID 54804343

IUPACN-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine
SMILESCCC(NCC1CCCCC1)c1ccc(OCCOC)cc1
InChIInChI=1S/C19H31NO2/c1-3-19(20-15-16-7-5-4-6-8-16)17-9-11-18(12-10-17)22-14-13-21-2/h9-12,16,19-20H,3-8,13-15H2,1-2H3
InChIKeyUUOPILKFLBXVGL-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.33
Rot. Bonds9

About N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine

N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine (PubChem CID 54804343) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine
PubChem CID54804343
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC NameN-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine
SMILESCCC(NCC1CCCCC1)c1ccc(OCCOC)cc1
InChIInChI=1S/C19H31NO2/c1-3-19(20-15-16-7-5-4-6-8-16)17-9-11-18(12-10-17)22-14-13-21-2/h9-12,16,19-20H,3-8,13-15H2,1-2H3
InChIKeyUUOPILKFLBXVGL-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N-(cyclohexylmethyl)-1-[4-(2-ethoxyethoxy)phenyl]ethanamine
CID 54804421
[2-cycloheptyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105303625
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
N-(cyclohexylmethyl)-2-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112771603
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
[3-cyclopentyl-1-(4-propoxyphenyl)propyl]hydrazine
CID 105303675
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 60855495
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
N-[(4-ethylcyclohexyl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 63451652

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine (CID 54804343) is N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine is CCC(NCC1CCCCC1)c1ccc(OCCOC)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine?
The InChIKey is UUOPILKFLBXVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-19(20-15-16-7-5-4-6-8-16)17-9-11-18(12-10-17)22-14-13-21-2/h9-12,16,19-20H,3-8,13-15H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine?
N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine has a molecular weight of 305.46 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 54804343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).