N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride

C11H18ClN — CID 22831491

IUPACN-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
SMILESCC(C)N[C@H](C)c1ccccc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-9(2)12-10(3)11-7-5-4-6-8-11;/h4-10,12H,1-3H3;1H/t10-;/m1./s1
InChIKeySVRDLWQPQZOASL-HNCPQSOCSA-N
MW199.73 g/mol
LogP3.17
Rot. Bonds3

About N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride

N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride (PubChem CID 22831491) has the molecular formula C11H18ClN and a molecular weight of 199.73 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
PubChem CID22831491
Molecular FormulaC11H18ClN
Molecular Weight199.73 g/mol
Exact Mass199.11
IUPAC NameN-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
SMILESCC(C)N[C@H](C)c1ccccc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-9(2)12-10(3)11-7-5-4-6-8-11;/h4-10,12H,1-3H3;1H/t10-;/m1./s1
InChIKeySVRDLWQPQZOASL-HNCPQSOCSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070986
1-phenyl-2-(1-phenylethylamino)propan-1-one;hydrochloride
CID 155432915
ethane;N-methyl-1-phenylethanamine
CID 91444453
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine
CID 81351773

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride (CID 22831491) is N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride is CC(C)N[C@H](C)c1ccccc1.Cl.
What is the InChIKey of N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride?
The InChIKey is SVRDLWQPQZOASL-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-9(2)12-10(3)11-7-5-4-6-8-11;/h4-10,12H,1-3H3;1H/t10-;/m1./s1.
What are the key properties of N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride?
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride has a molecular weight of 199.73 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 22831491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).