2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol

C12H17BrClNO — CID 65185943

IUPAC2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClNO/c1-7(2)10(6-15)12(16)9-4-3-8(13)5-11(9)14/h3-5,7,10,12,16H,6,15H2,1-2H3
InChIKeyQBLPCBQBAFUTGR-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.37
Rot. Bonds4

About 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol (PubChem CID 65185943) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
PubChem CID65185943
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClNO/c1-7(2)10(6-15)12(16)9-4-3-8(13)5-11(9)14/h3-5,7,10,12,16H,6,15H2,1-2H3
InChIKeyQBLPCBQBAFUTGR-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 65185739
3-amino-1-(4-bromo-2-chlorophenyl)propane-1,2-diol
CID 170829088
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
2-(aminomethyl)-1-(2-bromo-4-fluorophenyl)-3-methylbutan-1-ol
CID 65185535
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine
CID 175839043
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2,6-dichlorophenyl)propan-1-ol
CID 65184419
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
(2R)-2-(4-bromo-2-chlorophenyl)-2-fluoroethanamine;hydrochloride
CID 175839042
1-(4-bromo-2-chlorophenyl)-3-sulfanylpropane-1,2-diol
CID 170820951
2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol
CID 107954978
2-(aminomethyl)-1-(2-bromo-5-fluorophenyl)-3-methylbutan-1-ol
CID 65185842
2-(4-bromo-2-chlorophenyl)pentan-3-ol
CID 82781712

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol (CID 65185943) is 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol is CC(C)C(CN)C(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol?
The InChIKey is QBLPCBQBAFUTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-7(2)10(6-15)12(16)9-4-3-8(13)5-11(9)14/h3-5,7,10,12,16H,6,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol has a molecular weight of 306.63 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 65185943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).