1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine

C14H23NO2 — CID 114013501

IUPAC1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1cccc(OC)c1OC
InChIInChI=1S/C14H23NO2/c1-5-7-10(2)13(15)11-8-6-9-12(16-3)14(11)17-4/h6,8-10,13H,5,7,15H2,1-4H3
InChIKeyJIYBGFSXEGMWNS-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.14
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine

1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine (PubChem CID 114013501) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine
PubChem CID114013501
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1cccc(OC)c1OC
InChIInChI=1S/C14H23NO2/c1-5-7-10(2)13(15)11-8-6-9-12(16-3)14(11)17-4/h6,8-10,13H,5,7,15H2,1-4H3
InChIKeyJIYBGFSXEGMWNS-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,3-dimethoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171218798
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)-5-methylhexan-2-ol
CID 171266758
1-(2-ethoxyphenyl)-2-methylpentan-1-amine
CID 115853638
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
2-methoxy-1-(2-methoxyphenyl)pentan-1-amine
CID 116718510
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine (CID 114013501) is 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine is CCCC(C)C(N)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine?
The InChIKey is JIYBGFSXEGMWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-7-10(2)13(15)11-8-6-9-12(16-3)14(11)17-4/h6,8-10,13H,5,7,15H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine?
1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine is sourced from PubChem (CID 114013501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).