3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol

C10H14Cl2N2O — CID 116957715

IUPAC3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(Cl)c(Cl)c1)C(O)CN
InChIInChI=1S/C10H14Cl2N2O/c1-14-10(9(15)5-13)6-2-3-7(11)8(12)4-6/h2-4,9-10,14-15H,5,13H2,1H3
InChIKeyDEJXWHRUTLQEHC-UHFFFAOYSA-N
MW249.14 g/mol
LogP1.57
Rot. Bonds4

About 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol

3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol (PubChem CID 116957715) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
PubChem CID116957715
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
SMILESCNC(c1ccc(Cl)c(Cl)c1)C(O)CN
InChIInChI=1S/C10H14Cl2N2O/c1-14-10(9(15)5-13)6-2-3-7(11)8(12)4-6/h2-4,9-10,14-15H,5,13H2,1H3
InChIKeyDEJXWHRUTLQEHC-UHFFFAOYSA-N
XLogP1.57
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948774
3-amino-1-(methylamino)-1-naphthalen-2-ylpropan-2-ol
CID 116957742
3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
CID 116911758
3-amino-1-(4-methoxy-3-propan-2-ylphenyl)-1-(methylamino)propan-2-ol
CID 116957636
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43486466
1-amino-2-(3,4-dichlorophenyl)-4,5-dimethylhexan-3-ol
CID 65190573
(3,4-dichlorophenyl)-(methylamino)methanethiol
CID 116954570
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64814917

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol?
The IUPAC name of 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol (CID 116957715) is 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol is CNC(c1ccc(Cl)c(Cl)c1)C(O)CN.
What is the InChIKey of 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol?
The InChIKey is DEJXWHRUTLQEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O/c1-14-10(9(15)5-13)6-2-3-7(11)8(12)4-6/h2-4,9-10,14-15H,5,13H2,1H3.
What are the key properties of 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol?
3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol has a molecular weight of 249.14 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 116957715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).