1-(2-methoxyphenyl)-N-propylpropan-1-amine

C13H21NO — CID 43279174

IUPAC1-(2-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OC
InChIInChI=1S/C13H21NO/c1-4-10-14-12(5-2)11-8-6-7-9-13(11)15-3/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyQITMPMVUCWVIML-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.15
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-propylpropan-1-amine

1-(2-methoxyphenyl)-N-propylpropan-1-amine (PubChem CID 43279174) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-propylpropan-1-amine
PubChem CID43279174
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(2-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OC
InChIInChI=1S/C13H21NO/c1-4-10-14-12(5-2)11-8-6-7-9-13(11)15-3/h6-9,12,14H,4-5,10H2,1-3H3
InChIKeyQITMPMVUCWVIML-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
N-[1-(2-methoxyphenyl)propyl]-5-methylhexan-1-amine
CID 115324466
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
CID 115995505
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-propylpropan-1-amine (CID 43279174) is 1-(2-methoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is QITMPMVUCWVIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-10-14-12(5-2)11-8-6-7-9-13(11)15-3/h6-9,12,14H,4-5,10H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-propylpropan-1-amine?
1-(2-methoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 43279174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).