1-(2-ethoxyphenyl)-2-methylpentan-1-amine

C14H23NO — CID 115853638

IUPAC1-(2-ethoxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1ccccc1OCC
InChIInChI=1S/C14H23NO/c1-4-8-11(3)14(15)12-9-6-7-10-13(12)16-5-2/h6-7,9-11,14H,4-5,8,15H2,1-3H3
InChIKeyOYTHPRPMSQIYJK-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.52
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-methylpentan-1-amine

1-(2-ethoxyphenyl)-2-methylpentan-1-amine (PubChem CID 115853638) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-methylpentan-1-amine
PubChem CID115853638
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-ethoxyphenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1ccccc1OCC
InChIInChI=1S/C14H23NO/c1-4-8-11(3)14(15)12-9-6-7-10-13(12)16-5-2/h6-7,9-11,14H,4-5,8,15H2,1-3H3
InChIKeyOYTHPRPMSQIYJK-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740
2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
(1R,2S)-1-amino-1-(2-ethoxyphenyl)-5-methylhexan-2-ol
CID 171261737
1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine
CID 114013501
2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine
CID 107893622
1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine
CID 43330620
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine
CID 116716256
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-methylpentan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-methylpentan-1-amine (CID 115853638) is 1-(2-ethoxyphenyl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-methylpentan-1-amine is CCCC(C)C(N)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-methylpentan-1-amine?
The InChIKey is OYTHPRPMSQIYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-8-11(3)14(15)12-9-6-7-10-13(12)16-5-2/h6-7,9-11,14H,4-5,8,15H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-methylpentan-1-amine?
1-(2-ethoxyphenyl)-2-methylpentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-methylpentan-1-amine is sourced from PubChem (CID 115853638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).