(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride

C11H19ClN2 — CID 11969836

IUPAC(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
SMILESCN[C@@H](C)[C@@H](NC)c1ccccc1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-9(12-2)11(13-3)10-7-5-4-6-8-10;/h4-9,11-13H,1-3H3;1H/t9-,11+;/m0./s1
InChIKeyCCEJDCZZAVKMMA-QLSWKGBWSA-N
MW214.74 g/mol
LogP1.98
Rot. Bonds4

About (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride

(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride (PubChem CID 11969836) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
PubChem CID11969836
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride
SMILESCN[C@@H](C)[C@@H](NC)c1ccccc1.Cl
InChIInChI=1S/C11H18N2.ClH/c1-9(12-2)11(13-3)10-7-5-4-6-8-10;/h4-9,11-13H,1-3H3;1H/t9-,11+;/m0./s1
InChIKeyCCEJDCZZAVKMMA-QLSWKGBWSA-N
XLogP1.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;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

(1R,2R)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 59302389
(1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 6711442
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
N,3-dimethyl-2-(3-methylbutan-2-ylsulfanyl)-1-phenylbutan-1-amine
CID 107763433
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
lithium (1S,2R)-2-(methylamino)-1-phenylpropan-1-olate
CID 102008925
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
2-butan-2-ylsulfanyl-N-methyl-1-phenylbutan-1-amine
CID 64614445
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride?
The IUPAC name of (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride (CID 11969836) is (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride is CN[C@@H](C)[C@@H](NC)c1ccccc1.Cl.
What is the InChIKey of (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride?
The InChIKey is CCEJDCZZAVKMMA-QLSWKGBWSA-N. The full InChI is InChI=1S/C11H18N2.ClH/c1-9(12-2)11(13-3)10-7-5-4-6-8-10;/h4-9,11-13H,1-3H3;1H/t9-,11+;/m0./s1.
What are the key properties of (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride?
(1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride has a molecular weight of 214.74 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-N,2-N-dimethyl-1-phenylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 11969836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).