1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride

C10H14Cl3NO — CID 17293833

IUPAC1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c1-7(14)5-13-6-8-2-3-9(11)10(12)4-8;/h2-4,7,13-14H,5-6H2,1H3;1H
InChIKeyIKFSEGPGPNHLBX-UHFFFAOYSA-N
MW270.59 g/mol
LogP2.89
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride

1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride (PubChem CID 17293833) has the molecular formula C10H14Cl3NO and a molecular weight of 270.59 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
PubChem CID17293833
Molecular FormulaC10H14Cl3NO
Molecular Weight270.59 g/mol
Exact Mass269.01
IUPAC Name1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
SMILESCC(O)CNCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c1-7(14)5-13-6-8-2-3-9(11)10(12)4-8;/h2-4,7,13-14H,5-6H2,1H3;1H
InChIKeyIKFSEGPGPNHLBX-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997084
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 4719391
(2S)-1-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996926
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115655535
1-[(3,4-dimethylphenyl)methylamino]propan-2-ol
CID 43220826
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride (CID 17293833) is 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride is CC(O)CNCc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride?
The InChIKey is IKFSEGPGPNHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO.ClH/c1-7(14)5-13-6-8-2-3-9(11)10(12)4-8;/h2-4,7,13-14H,5-6H2,1H3;1H.
What are the key properties of 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride?
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride has a molecular weight of 270.59 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 17293833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).