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

C15H25NO — CID 163960110

IUPAC2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CC)(CN)c1cccc(OC)c1
InChIInChI=1S/C15H25NO/c1-5-12(3)15(6-2,11-16)13-8-7-9-14(10-13)17-4/h7-10,12H,5-6,11,16H2,1-4H3
InChIKeySGSCJFCRMWXMDX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.35
Rot. Bonds6

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

2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine (PubChem CID 163960110) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine
PubChem CID163960110
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CC)(CN)c1cccc(OC)c1
InChIInChI=1S/C15H25NO/c1-5-12(3)15(6-2,11-16)13-8-7-9-14(10-13)17-4/h7-10,12H,5-6,11,16H2,1-4H3
InChIKeySGSCJFCRMWXMDX-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
CID 66432579
(2S,4R)-4-(aminomethyl)-4-(3-methoxyphenyl)heptan-2-ol
CID 125468139
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
2-(3-methoxyphenyl)-3-methylhexan-2-ol
CID 107892511
3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
CID 68829384
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
(3S,4S)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 68538917
(3R,4R)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 69117113
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
N-butan-2-yl-2-ethyl-2-(3-methoxyphenyl)butanamide
CID 172775703

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine?
The IUPAC name of 2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine (CID 163960110) is 2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine is CCC(C)C(CC)(CN)c1cccc(OC)c1.
What is the InChIKey of 2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine?
The InChIKey is SGSCJFCRMWXMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12(3)15(6-2,11-16)13-8-7-9-14(10-13)17-4/h7-10,12H,5-6,11,16H2,1-4H3.
What are the key properties of 2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine?
2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-methoxyphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 163960110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).