2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine

C14H23NO2 — CID 107095421

IUPAC2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
SMILESCOCC(CNCC(C)c1ccccc1)OC
InChIInChI=1S/C14H23NO2/c1-12(13-7-5-4-6-8-13)9-15-10-14(17-3)11-16-2/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyDXTTZSAKFUPMAZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.04
Rot. Bonds8

About 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine

2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine (PubChem CID 107095421) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
PubChem CID107095421
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine
SMILESCOCC(CNCC(C)c1ccccc1)OC
InChIInChI=1S/C14H23NO2/c1-12(13-7-5-4-6-8-13)9-15-10-14(17-3)11-16-2/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyDXTTZSAKFUPMAZ-UHFFFAOYSA-N
XLogP2.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N'-(2,3-dimethoxypropyl)-1-phenylpropane-1,3-diamine
CID 114100553
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
1-methoxy-4-(2-phenylpropylamino)butan-2-ol
CID 107095218
N-(2,3-dimethoxypropyl)-1-phenylbutan-1-amine
CID 113368973
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
N-[(2-ethylphenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 114099391

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine?
The IUPAC name of 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine (CID 107095421) is 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine.
What is the SMILES notation for 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine?
The canonical SMILES for 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine is COCC(CNCC(C)c1ccccc1)OC.
What is the InChIKey of 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine?
The InChIKey is DXTTZSAKFUPMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(13-7-5-4-6-8-13)9-15-10-14(17-3)11-16-2/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine?
2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(2-phenylpropyl)propan-1-amine is sourced from PubChem (CID 107095421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).