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

C16H18Cl3NO — CID 2982245

IUPAC2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1ccc(Cl)cc1Cl)C(O)c1ccccc1.Cl
InChIInChI=1S/C16H17Cl2NO.ClH/c1-11(16(20)12-5-3-2-4-6-12)19-10-13-7-8-14(17)9-15(13)18;/h2-9,11,16,19-20H,10H2,1H3;1H
InChIKeyRTJDZSLKGUUNQS-UHFFFAOYSA-N
MW346.69 g/mol
LogP4.63
Rot. Bonds5

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

2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 2982245) has the molecular formula C16H18Cl3NO and a molecular weight of 346.69 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID2982245
Molecular FormulaC16H18Cl3NO
Molecular Weight346.69 g/mol
Exact Mass345.05
IUPAC Name2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1ccc(Cl)cc1Cl)C(O)c1ccccc1.Cl
InChIInChI=1S/C16H17Cl2NO.ClH/c1-11(16(20)12-5-3-2-4-6-12)19-10-13-7-8-14(17)9-15(13)18;/h2-9,11,16,19-20H,10H2,1H3;1H
InChIKeyRTJDZSLKGUUNQS-UHFFFAOYSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Tulobuterol
CID 5606
Dichloroisoproterenol
CID 5806
Clorprenaline
CID 2810
Tulobuterol Hydrochloride
CID 5702285
Benzenemethanol, 2-chloro-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)
CID 23360
rel-(alphaR)-3-Chloro-alpha-((1R)-1-((1,1-dimethylethyl)amino)ethyl)benzenemethanol
CID 9834682
2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 445
(1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 9943534
Clorprenaline Hydrochloride
CID 21784
1-(3-Chlorophenyl)-2-(isopropylamino)ethanol
CID 19913640
Erythrohydrobupropion
CID 9813542
(R*,S*)-2-(T-Butylamino)1-(3-chlorophenyl) propanol
CID 9899562

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (CID 2982245) is 2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is CC(NCc1ccc(Cl)cc1Cl)C(O)c1ccccc1.Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is RTJDZSLKGUUNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO.ClH/c1-11(16(20)12-5-3-2-4-6-12)19-10-13-7-8-14(17)9-15(13)18;/h2-9,11,16,19-20H,10H2,1H3;1H.
What are the key properties of 2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 346.69 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 2982245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).