2-benzyl-3-phenylpropan-1-amine;hydrochloride

C16H20ClN — CID 75481010

IUPAC2-benzyl-3-phenylpropan-1-amine;hydrochloride
SMILESCl.NCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H19N.ClH/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;/h1-10,16H,11-13,17H2;1H
InChIKeyRCUJPFKBLVAZHT-UHFFFAOYSA-N
MW261.80 g/mol
LogP3.47
Rot. Bonds5

About 2-benzyl-3-phenylpropan-1-amine;hydrochloride

2-benzyl-3-phenylpropan-1-amine;hydrochloride (PubChem CID 75481010) has the molecular formula C16H20ClN and a molecular weight of 261.80 g/mol. Its IUPAC name is 2-benzyl-3-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-benzyl-3-phenylpropan-1-amine;hydrochloride
PubChem CID75481010
Molecular FormulaC16H20ClN
Molecular Weight261.80 g/mol
Exact Mass261.13
IUPAC Name2-benzyl-3-phenylpropan-1-amine;hydrochloride
SMILESCl.NCC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H19N.ClH/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;/h1-10,16H,11-13,17H2;1H
InChIKeyRCUJPFKBLVAZHT-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 62504695
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CID 62504845
2-benzyl-N',N'-dimethylpropane-1,3-diamine
CID 23008665
2-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
2-methyl-3-phenylpropan-1-amine
CID 12672558
(2R)-2-fluoro-3-phenylpropan-1-amine
CID 69274217
2-benzyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenylpropan-1-amine;hydrochloride?
The IUPAC name of 2-benzyl-3-phenylpropan-1-amine;hydrochloride (CID 75481010) is 2-benzyl-3-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for 2-benzyl-3-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for 2-benzyl-3-phenylpropan-1-amine;hydrochloride is Cl.NCC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-phenylpropan-1-amine;hydrochloride?
The InChIKey is RCUJPFKBLVAZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.ClH/c17-13-16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15;/h1-10,16H,11-13,17H2;1H.
What are the key properties of 2-benzyl-3-phenylpropan-1-amine;hydrochloride?
2-benzyl-3-phenylpropan-1-amine;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 75481010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).