2-ethyl-3-(3-methoxyphenyl)hexan-1-amine

C15H25NO — CID 142251064

IUPAC2-ethyl-3-(3-methoxyphenyl)hexan-1-amine
SMILESCCCC(c1cccc(OC)c1)C(CC)CN
InChIInChI=1S/C15H25NO/c1-4-7-15(12(5-2)11-16)13-8-6-9-14(10-13)17-3/h6,8-10,12,15H,4-5,7,11,16H2,1-3H3
InChIKeyNRIHVJQYQAUEPF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.56
Rot. Bonds7

About 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine

2-ethyl-3-(3-methoxyphenyl)hexan-1-amine (PubChem CID 142251064) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-(3-methoxyphenyl)hexan-1-amine
PubChem CID142251064
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-ethyl-3-(3-methoxyphenyl)hexan-1-amine
SMILESCCCC(c1cccc(OC)c1)C(CC)CN
InChIInChI=1S/C15H25NO/c1-4-7-15(12(5-2)11-16)13-8-6-9-14(10-13)17-3/h6,8-10,12,15H,4-5,7,11,16H2,1-3H3
InChIKeyNRIHVJQYQAUEPF-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3S)-2-ethyl-3-(3-methoxyphenyl)-N-methylhexan-1-amine
CID 142251017
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-bromohexan-2-yl)-3-methoxybenzene
CID 83051986
2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol
CID 79415352
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
1-(3-methoxyphenyl)-3-methylhexan-1-amine
CID 62605848
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine?
The IUPAC name of 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine (CID 142251064) is 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine is CCCC(c1cccc(OC)c1)C(CC)CN.
What is the InChIKey of 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine?
The InChIKey is NRIHVJQYQAUEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-7-15(12(5-2)11-16)13-8-6-9-14(10-13)17-3/h6,8-10,12,15H,4-5,7,11,16H2,1-3H3.
What are the key properties of 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine?
2-ethyl-3-(3-methoxyphenyl)hexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methoxyphenyl)hexan-1-amine is sourced from PubChem (CID 142251064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).