2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine

C20H27NO — CID 82138520

IUPAC2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine
SMILESCCc1cc(C(CN)CCCc2ccccc2)ccc1OC
InChIInChI=1S/C20H27NO/c1-3-17-14-18(12-13-20(17)22-2)19(15-21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,19H,3,7,10-11,15,21H2,1-2H3
InChIKeyAISIJHOWALWWJZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.32
Rot. Bonds8

About 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine

2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine (PubChem CID 82138520) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine.

Molecular Properties

Compound Name2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine
PubChem CID82138520
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine
SMILESCCc1cc(C(CN)CCCc2ccccc2)ccc1OC
InChIInChI=1S/C20H27NO/c1-3-17-14-18(12-13-20(17)22-2)19(15-21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,19H,3,7,10-11,15,21H2,1-2H3
InChIKeyAISIJHOWALWWJZ-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethyl-4-methoxyphenyl)-4-phenylbutanenitrile
CID 82137906
3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 82139388
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149
4-(2-methoxyphenyl)-2-phenylbutan-1-amine
CID 81010261
(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
4-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 96657172
2-(4-bromo-3-methoxyphenyl)-3-phenylpropan-1-amine
CID 155432883
1-(3-ethyl-4-methoxyphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904678
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-(2-methoxyphenyl)-5-phenylpentan-2-ol
CID 62606153

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine?
The IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine (CID 82138520) is 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine.
What is the SMILES notation for 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine?
The canonical SMILES for 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine is CCc1cc(C(CN)CCCc2ccccc2)ccc1OC.
What is the InChIKey of 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine?
The InChIKey is AISIJHOWALWWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-17-14-18(12-13-20(17)22-2)19(15-21)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,19H,3,7,10-11,15,21H2,1-2H3.
What are the key properties of 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine?
2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methoxyphenyl)-5-phenylpentan-1-amine is sourced from PubChem (CID 82138520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).