1-(5-butan-2-yl-2-methoxyphenyl)ethanamine

C13H21NO — CID 4319802

IUPAC1-(5-butan-2-yl-2-methoxyphenyl)ethanamine
SMILESCCC(C)c1ccc(OC)c(C(C)N)c1
InChIInChI=1S/C13H21NO/c1-5-9(2)11-6-7-13(15-4)12(8-11)10(3)14/h6-10H,5,14H2,1-4H3
InChIKeyQJENMBZDKKDYII-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.23
Rot. Bonds4

About 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine

1-(5-butan-2-yl-2-methoxyphenyl)ethanamine (PubChem CID 4319802) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-butan-2-yl-2-methoxyphenyl)ethanamine
PubChem CID4319802
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(5-butan-2-yl-2-methoxyphenyl)ethanamine
SMILESCCC(C)c1ccc(OC)c(C(C)N)c1
InChIInChI=1S/C13H21NO/c1-5-9(2)11-6-7-13(15-4)12(8-11)10(3)14/h6-10H,5,14H2,1-4H3
InChIKeyQJENMBZDKKDYII-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
1-bromo-4-butan-2-yl-2-methoxybenzene;ethane
CID 166461083
3-[(1R)-1-aminoethyl]-4-methoxyphenol
CID 131197518
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine (CID 4319802) is 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine is CCC(C)c1ccc(OC)c(C(C)N)c1.
What is the InChIKey of 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine?
The InChIKey is QJENMBZDKKDYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-9(2)11-6-7-13(15-4)12(8-11)10(3)14/h6-10H,5,14H2,1-4H3.
What are the key properties of 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine?
1-(5-butan-2-yl-2-methoxyphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 4319802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).