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

C24H35NO — CID 54807525

IUPAC1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCCCCOc1ccc(C(CC)NCCc2ccccc2C)cc1
InChIInChI=1S/C24H35NO/c1-4-6-7-10-19-26-23-15-13-22(14-16-23)24(5-2)25-18-17-21-12-9-8-11-20(21)3/h8-9,11-16,24-25H,4-7,10,17-19H2,1-3H3
InChIKeyOOYLVLQQVVJMFU-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.24
Rot. Bonds12

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

1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 54807525) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID54807525
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCCCCOc1ccc(C(CC)NCCc2ccccc2C)cc1
InChIInChI=1S/C24H35NO/c1-4-6-7-10-19-26-23-15-13-22(14-16-23)24(5-2)25-18-17-21-12-9-8-11-20(21)3/h8-9,11-16,24-25H,4-7,10,17-19H2,1-3H3
InChIKeyOOYLVLQQVVJMFU-UHFFFAOYSA-N
XLogP6.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]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

1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
N-[2-(2-methylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 54807564
4-hexoxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54798890
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
1-(2-heptoxyphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 54807811
4-hexoxy-N-[(2-methylphenyl)methyl]aniline
CID 54798876
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
CID 107006087
N-propyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]propan-1-amine
CID 63774718
N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
CID 44531492
N-[1-(4-methylphenyl)propyl]octan-1-amine
CID 43225299
N-(4-hexoxyphenyl)-2-(2-methylphenyl)acetamide
CID 26163356
N-[1-(4-octoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804616

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine (CID 54807525) is 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine is CCCCCCOc1ccc(C(CC)NCCc2ccccc2C)cc1.
What is the InChIKey of 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is OOYLVLQQVVJMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-4-6-7-10-19-26-23-15-13-22(14-16-23)24(5-2)25-18-17-21-12-9-8-11-20(21)3/h8-9,11-16,24-25H,4-7,10,17-19H2,1-3H3.
What are the key properties of 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine?
1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 353.55 g/mol, XLogP of 6.24, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 54807525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).