N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine

C19H25NO — CID 106261219

IUPACN-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
SMILESCOc1ccccc1CCNCCCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-21-19-13-6-5-12-18(19)14-16-20-15-8-7-11-17-9-3-2-4-10-17/h2-6,9-10,12-13,20H,7-8,11,14-16H2,1H3
InChIKeyWEBARNAPIWAEBD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.85
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine

N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine (PubChem CID 106261219) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
PubChem CID106261219
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
SMILESCOc1ccccc1CCNCCCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-21-19-13-6-5-12-18(19)14-16-20-15-8-7-11-17-9-3-2-4-10-17/h2-6,9-10,12-13,20H,7-8,11,14-16H2,1H3
InChIKeyWEBARNAPIWAEBD-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.85
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-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790238
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
2-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)acetamide
CID 109000620
N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine
CID 70269096
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
N-[3-(2-methoxyphenyl)propyl]-3,3-diphenylpropan-1-amine
CID 154511007
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
N'-[2-(2-benzyl-3,4-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexane-1,6-diamine;dihydrochloride
CID 70045441

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine (CID 106261219) is N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine is COc1ccccc1CCNCCCCc1ccccc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine?
The InChIKey is WEBARNAPIWAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-21-19-13-6-5-12-18(19)14-16-20-15-8-7-11-17-9-3-2-4-10-17/h2-6,9-10,12-13,20H,7-8,11,14-16H2,1H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine?
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine is sourced from PubChem (CID 106261219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).