N-(2-phenylpropyl)cyclopropanamine;hydrochloride

C12H18ClN — CID 17158330

IUPACN-(2-phenylpropyl)cyclopropanamine;hydrochloride
SMILESCC(CNC1CC1)c1ccccc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-10(9-13-12-7-8-12)11-5-3-2-4-6-11;/h2-6,10,12-13H,7-9H2,1H3;1H
InChIKeyQCCXIPMRAGNKIF-UHFFFAOYSA-N
MW211.74 g/mol
LogP2.96
Rot. Bonds4

About N-(2-phenylpropyl)cyclopropanamine;hydrochloride

N-(2-phenylpropyl)cyclopropanamine;hydrochloride (PubChem CID 17158330) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is N-(2-phenylpropyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylpropyl)cyclopropanamine;hydrochloride
PubChem CID17158330
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC NameN-(2-phenylpropyl)cyclopropanamine;hydrochloride
SMILESCC(CNC1CC1)c1ccccc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-10(9-13-12-7-8-12)11-5-3-2-4-6-11;/h2-6,10,12-13H,7-9H2,1H3;1H
InChIKeyQCCXIPMRAGNKIF-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733
4-tert-butyl-N-(2-phenylpropyl)cycloheptan-1-amine
CID 65090143
N-(2-phenylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103560913
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
3-methoxy-N-(2-phenylpropyl)cyclohexan-1-amine
CID 104591432
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
1-(cyclopropylamino)-3-phenylbutan-2-ol
CID 62773740
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778
N-[2-(4-methylphenyl)propyl]cyclopentanamine
CID 115641829
3-(2-fluorophenyl)-N-(2-phenylpropyl)cyclobutan-1-amine
CID 43634457
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-(2-phenylpropyl)cyclopropanamine;hydrochloride (CID 17158330) is N-(2-phenylpropyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-(2-phenylpropyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-(2-phenylpropyl)cyclopropanamine;hydrochloride is CC(CNC1CC1)c1ccccc1.Cl.
What is the InChIKey of N-(2-phenylpropyl)cyclopropanamine;hydrochloride?
The InChIKey is QCCXIPMRAGNKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-10(9-13-12-7-8-12)11-5-3-2-4-6-11;/h2-6,10,12-13H,7-9H2,1H3;1H.
What are the key properties of N-(2-phenylpropyl)cyclopropanamine;hydrochloride?
N-(2-phenylpropyl)cyclopropanamine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 17158330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).