3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol

C12H17Cl2NO — CID 107310643

IUPAC3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(CN)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(16)12(2,7-15)6-9-4-3-5-10(13)11(9)14/h3-5,8,16H,6-7,15H2,1-2H3
InChIKeyMXTMBEDYHHAHJU-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.88
Rot. Bonds4

About 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol

3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol (PubChem CID 107310643) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
PubChem CID107310643
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(CN)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H17Cl2NO/c1-8(16)12(2,7-15)6-9-4-3-5-10(13)11(9)14/h3-5,8,16H,6-7,15H2,1-2H3
InChIKeyMXTMBEDYHHAHJU-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-4-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 102863427
3-(aminomethyl)-3-methyl-4-(2-methylphenyl)butan-2-ol
CID 65392997
3-[(2,3-dichlorophenyl)methyl]-2,4-dimethylpentan-3-ol
CID 112743445
1-(2,3-dichlorophenyl)-2,3-dimethylpentan-2-amine
CID 107307745
1-(2,3-dichlorophenyl)-2-phenylpropan-2-amine
CID 107307722
2-cyclopropyl-3-(2,3-dichlorophenyl)-2-methylpropan-1-amine
CID 107309812
3-(aminomethyl)-4-(2-chloro-6-nitrophenyl)-3-methylbutan-2-ol
CID 65393412
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
2-(3-chlorophenyl)-1-(2,3-dichlorophenyl)propan-2-ol
CID 107307348
2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107309951
1-(2,3-dichlorophenyl)-3-hydroxy-4-methylpentan-2-one
CID 107308075

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol (CID 107310643) is 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol is CC(O)C(C)(CN)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol?
The InChIKey is MXTMBEDYHHAHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-8(16)12(2,7-15)6-9-4-3-5-10(13)11(9)14/h3-5,8,16H,6-7,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol?
3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol has a molecular weight of 262.18 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 107310643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).