2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride

C13H22ClN — CID 17157782

IUPAC2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
SMILESCC(C)CNCC(C)c1ccccc1.Cl
InChIInChI=1S/C13H21N.ClH/c1-11(2)9-14-10-12(3)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10H2,1-3H3;1H
InChIKeyORXZODVEZFNZHE-UHFFFAOYSA-N
MW227.78 g/mol
LogP3.46
Rot. Bonds5

About 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride

2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride (PubChem CID 17157782) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
PubChem CID17157782
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC Name2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
SMILESCC(C)CNCC(C)c1ccccc1.Cl
InChIInChI=1S/C13H21N.ClH/c1-11(2)9-14-10-12(3)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10H2,1-3H3;1H
InChIKeyORXZODVEZFNZHE-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
2,4-dimethyl-N-(2-phenylpropyl)pentan-1-amine
CID 114200183
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
N'-(2-phenylpropyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441196
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride (CID 17157782) is 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride is CC(C)CNCC(C)c1ccccc1.Cl.
What is the InChIKey of 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride?
The InChIKey is ORXZODVEZFNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.ClH/c1-11(2)9-14-10-12(3)13-7-5-4-6-8-13;/h4-8,11-12,14H,9-10H2,1-3H3;1H.
What are the key properties of 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride?
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride has a molecular weight of 227.78 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 17157782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).