1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride

C12H21Cl3N2O — CID 17294470

IUPAC1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCC(O)CNCCNCc1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C12H19ClN2O.2ClH/c1-10(16)8-14-6-7-15-9-11-2-4-12(13)5-3-11;;/h2-5,10,14-16H,6-9H2,1H3;2*1H
InChIKeyJCWTYDLWUHASKH-UHFFFAOYSA-N
MW315.67 g/mol
LogP2.24
Rot. Bonds7

About 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride

1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride (PubChem CID 17294470) has the molecular formula C12H21Cl3N2O and a molecular weight of 315.67 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
PubChem CID17294470
Molecular FormulaC12H21Cl3N2O
Molecular Weight315.67 g/mol
Exact Mass314.07
IUPAC Name1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCC(O)CNCCNCc1ccc(Cl)cc1.Cl.Cl
InChIInChI=1S/C12H19ClN2O.2ClH/c1-10(16)8-14-6-7-15-9-11-2-4-12(13)5-3-11;;/h2-5,10,14-16H,6-9H2,1H3;2*1H
InChIKeyJCWTYDLWUHASKH-UHFFFAOYSA-N
XLogP2.24
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.67
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-[2-[(4-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294524
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
1-[2-(thiophen-3-ylmethylamino)ethylamino]propan-2-ol
CID 4723865
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846
N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride (CID 17294470) is 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride is CC(O)CNCCNCc1ccc(Cl)cc1.Cl.Cl.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride?
The InChIKey is JCWTYDLWUHASKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O.2ClH/c1-10(16)8-14-6-7-15-9-11-2-4-12(13)5-3-11;;/h2-5,10,14-16H,6-9H2,1H3;2*1H.
What are the key properties of 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride?
1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride has a molecular weight of 315.67 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride is sourced from PubChem (CID 17294470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).