1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine

C15H25NO2 — CID 103283486

IUPAC1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine
SMILESCCCC(C)COCC(N)c1cccc(OC)c1
InChIInChI=1S/C15H25NO2/c1-4-6-12(2)10-18-11-15(16)13-7-5-8-14(9-13)17-3/h5,7-9,12,15H,4,6,10-11,16H2,1-3H3
InChIKeyQNBBXUPQRWVCRC-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.15
Rot. Bonds8

About 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine

1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine (PubChem CID 103283486) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine
PubChem CID103283486
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine
SMILESCCCC(C)COCC(N)c1cccc(OC)c1
InChIInChI=1S/C15H25NO2/c1-4-6-12(2)10-18-11-15(16)13-7-5-8-14(9-13)17-3/h5,7-9,12,15H,4,6,10-11,16H2,1-3H3
InChIKeyQNBBXUPQRWVCRC-UHFFFAOYSA-N
XLogP3.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-methylhexan-1-amine
CID 62605848
2-(2-methylpentoxy)-1-phenylethanamine
CID 103283488
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(4-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 16791340
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine (CID 103283486) is 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine is CCCC(C)COCC(N)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine?
The InChIKey is QNBBXUPQRWVCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-6-12(2)10-18-11-15(16)13-7-5-8-14(9-13)17-3/h5,7-9,12,15H,4,6,10-11,16H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine?
1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2-methylpentoxy)ethanamine is sourced from PubChem (CID 103283486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).