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

C10H13Cl2NO — CID 64814917

IUPAC3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-13-10(4-5-14)7-2-3-8(11)9(12)6-7/h2-3,6,10,13-14H,4-5H2,1H3
InChIKeyQGJJAVAFGRUZMS-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.64
Rot. Bonds4

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

3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol (PubChem CID 64814917) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
PubChem CID64814917
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol
SMILESCNC(CCO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-13-10(4-5-14)7-2-3-8(11)9(12)6-7/h2-3,6,10,13-14H,4-5H2,1H3
InChIKeyQGJJAVAFGRUZMS-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949498
1-(3,4-dichlorophenyl)-N-methylhex-4-yn-1-amine
CID 104807089
1-(3,4-dichlorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947987
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
(3S)-3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 20794252
3-(3,4-dichlorophenyl)-4-(methylamino)butan-1-ol
CID 10824416
1-(3,4-dichlorophenyl)-N-methylhex-5-en-1-amine
CID 81491489
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol
CID 67925877
3-(2,5-dichlorophenyl)-3-(methylamino)propan-1-ol
CID 64813241
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol (CID 64814917) is 3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol is CNC(CCO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol?
The InChIKey is QGJJAVAFGRUZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13-10(4-5-14)7-2-3-8(11)9(12)6-7/h2-3,6,10,13-14H,4-5H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol?
3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol has a molecular weight of 234.13 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 64814917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).