N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine

C20H27NO — CID 18790238

IUPACN-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
SMILESCOc1ccccc1CCNCCCCCc1ccccc1
InChIInChI=1S/C20H27NO/c1-22-20-14-8-7-13-19(20)15-17-21-16-9-3-6-12-18-10-4-2-5-11-18/h2,4-5,7-8,10-11,13-14,21H,3,6,9,12,15-17H2,1H3
InChIKeySLYQXXVKZHUSAP-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.24
Rot. Bonds10

About N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine

N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine (PubChem CID 18790238) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
PubChem CID18790238
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
SMILESCOc1ccccc1CCNCCCCCc1ccccc1
InChIInChI=1S/C20H27NO/c1-22-20-14-8-7-13-19(20)15-17-21-16-9-3-6-12-18-10-4-2-5-11-18/h2,4-5,7-8,10-11,13-14,21H,3,6,9,12,15-17H2,1H3
InChIKeySLYQXXVKZHUSAP-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.24
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]-4-phenylbutan-1-amine
CID 106261219
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
2-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)acetamide
CID 109000620
N'-[2-(2-benzyl-3,4-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexane-1,6-diamine;dihydrochloride
CID 70045441
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
5-phenyl-N-propylpentan-1-amine
CID 62530615
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine
CID 70269096
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine (CID 18790238) is N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine is COc1ccccc1CCNCCCCCc1ccccc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine?
The InChIKey is SLYQXXVKZHUSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-22-20-14-8-7-13-19(20)15-17-21-16-9-3-6-12-18-10-4-2-5-11-18/h2,4-5,7-8,10-11,13-14,21H,3,6,9,12,15-17H2,1H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine?
N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.24, 10 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]-5-phenylpentan-1-amine is sourced from PubChem (CID 18790238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).