3-[2-(2-methoxypropyl)phenyl]propan-1-amine

C13H21NO — CID 115113273

IUPAC3-[2-(2-methoxypropyl)phenyl]propan-1-amine
SMILESCOC(C)Cc1ccccc1CCCN
InChIInChI=1S/C13H21NO/c1-11(15-2)10-13-7-4-3-6-12(13)8-5-9-14/h3-4,6-7,11H,5,8-10,14H2,1-2H3
InChIKeyYUUGMLVYHCCCFM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds6

About 3-[2-(2-methoxypropyl)phenyl]propan-1-amine

3-[2-(2-methoxypropyl)phenyl]propan-1-amine (PubChem CID 115113273) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[2-(2-methoxypropyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2-methoxypropyl)phenyl]propan-1-amine
PubChem CID115113273
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[2-(2-methoxypropyl)phenyl]propan-1-amine
SMILESCOC(C)Cc1ccccc1CCCN
InChIInChI=1S/C13H21NO/c1-11(15-2)10-13-7-4-3-6-12(13)8-5-9-14/h3-4,6-7,11H,5,8-10,14H2,1-2H3
InChIKeyYUUGMLVYHCCCFM-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(2-methoxypropyl)phenyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-aminopropyl)phenyl]butan-1-amine
CID 66940380
3-[4-(2-methoxypropyl)phenyl]propan-1-amine
CID 117296745
4-[2-(3-aminopropyl)phenyl]pentan-1-amine
CID 54448117
1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
CID 117112740
1-(2-butylphenyl)propan-2-amine
CID 21117027
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
3-[2-[(1-fluorocyclopropyl)methyl]phenyl]propan-1-amine
CID 84722460
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
[2-(2-methoxypropyl)phenyl] hydrogen carbonate
CID 90300699
3-(2-tert-butylphenyl)propan-1-amine
CID 84772141
2-[4-(3-methoxybutyl)phenyl]ethanamine
CID 117110832
2-[2-(3-aminopropyl)-6-propylphenoxy]propan-1-ol
CID 145498859

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxypropyl)phenyl]propan-1-amine?
The IUPAC name of 3-[2-(2-methoxypropyl)phenyl]propan-1-amine (CID 115113273) is 3-[2-(2-methoxypropyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-(2-methoxypropyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-(2-methoxypropyl)phenyl]propan-1-amine is COC(C)Cc1ccccc1CCCN.
What is the InChIKey of 3-[2-(2-methoxypropyl)phenyl]propan-1-amine?
The InChIKey is YUUGMLVYHCCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(15-2)10-13-7-4-3-6-12(13)8-5-9-14/h3-4,6-7,11H,5,8-10,14H2,1-2H3.
What are the key properties of 3-[2-(2-methoxypropyl)phenyl]propan-1-amine?
3-[2-(2-methoxypropyl)phenyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxypropyl)phenyl]propan-1-amine is sourced from PubChem (CID 115113273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).