3-phenyl-N-propylpropan-1-amine;hydrochloride

C12H20ClN — CID 75357720

IUPAC3-phenyl-N-propylpropan-1-amine;hydrochloride
SMILESCCCNCCCc1ccccc1.Cl
InChIInChI=1S/C12H19N.ClH/c1-2-10-13-11-6-9-12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11H2,1H3;1H
InChIKeySFVMYQHQDBKOPR-UHFFFAOYSA-N
MW213.75 g/mol
LogP3.04
Rot. Bonds6

About 3-phenyl-N-propylpropan-1-amine;hydrochloride

3-phenyl-N-propylpropan-1-amine;hydrochloride (PubChem CID 75357720) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 3-phenyl-N-propylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-phenyl-N-propylpropan-1-amine;hydrochloride
PubChem CID75357720
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name3-phenyl-N-propylpropan-1-amine;hydrochloride
SMILESCCCNCCCc1ccccc1.Cl
InChIInChI=1S/C12H19N.ClH/c1-2-10-13-11-6-9-12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11H2,1H3;1H
InChIKeySFVMYQHQDBKOPR-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-N-propylpentan-1-amine
CID 62530615
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
3-(3-phenylpropoxy)-N-propylpropan-1-amine
CID 62485607
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605
N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
CID 113410199
N-(2-phenylethyl)undecan-1-amine
CID 141108004

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propylpropan-1-amine;hydrochloride?
The IUPAC name of 3-phenyl-N-propylpropan-1-amine;hydrochloride (CID 75357720) is 3-phenyl-N-propylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-phenyl-N-propylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-phenyl-N-propylpropan-1-amine;hydrochloride is CCCNCCCc1ccccc1.Cl.
What is the InChIKey of 3-phenyl-N-propylpropan-1-amine;hydrochloride?
The InChIKey is SFVMYQHQDBKOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.ClH/c1-2-10-13-11-6-9-12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11H2,1H3;1H.
What are the key properties of 3-phenyl-N-propylpropan-1-amine;hydrochloride?
3-phenyl-N-propylpropan-1-amine;hydrochloride has a molecular weight of 213.75 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propylpropan-1-amine;hydrochloride is sourced from PubChem (CID 75357720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).