4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol

C12H17Cl2NO — CID 66091467

IUPAC4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol
SMILESCC(N)C(C)(CCO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(15)12(2,5-6-16)10-7-9(13)3-4-11(10)14/h3-4,7-8,16H,5-6,15H2,1-2H3
InChIKeyZQBKLADNCVYTRP-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol

4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol (PubChem CID 66091467) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol
PubChem CID66091467
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol
SMILESCC(N)C(C)(CCO)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(15)12(2,5-6-16)10-7-9(13)3-4-11(10)14/h3-4,7-8,16H,5-6,15H2,1-2H3
InChIKeyZQBKLADNCVYTRP-UHFFFAOYSA-N
XLogP2.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanenitrile
CID 117049997
ethyl 2-(2,5-dichlorophenyl)-4-hydroxy-2-methylbutanoate
CID 117049944
4-amino-3-methyl-3-naphthalen-1-ylpentan-1-ol
CID 66089361
(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol
CID 130625511
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
3-(2,5-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588763
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine
CID 112566767
4-amino-3-(4-bromo-2-chlorophenyl)-3-methylhexan-1-ol
CID 82781421
4-amino-3-(2-fluoro-6-methoxyphenyl)-3-methylpentan-1-ol
CID 113389401
2-(2,5-dichlorophenyl)-1-(2-methylpropylamino)propan-2-ol
CID 62775164

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol?
The IUPAC name of 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol (CID 66091467) is 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol.
What is the SMILES notation for 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol?
The canonical SMILES for 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol is CC(N)C(C)(CCO)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol?
The InChIKey is ZQBKLADNCVYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(15)12(2,5-6-16)10-7-9(13)3-4-11(10)14/h3-4,7-8,16H,5-6,15H2,1-2H3.
What are the key properties of 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol?
4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol has a molecular weight of 262.18 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,5-dichlorophenyl)-3-methylpentan-1-ol is sourced from PubChem (CID 66091467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).