2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol

C12H17BrClNO — CID 106508317

IUPAC2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClNO/c1-2-12(7-15,8-16)6-9-3-4-10(13)5-11(9)14/h3-5,16H,2,6-8,15H2,1H3
InChIKeyZRLDSYMQSRGKKK-UHFFFAOYSA-N
MW306.63 g/mol
LogP2.99
Rot. Bonds5

About 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol

2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol (PubChem CID 106508317) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol
PubChem CID106508317
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol
SMILESCCC(CN)(CO)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClNO/c1-2-12(7-15,8-16)6-9-3-4-10(13)5-11(9)14/h3-5,16H,2,6-8,15H2,1H3
InChIKeyZRLDSYMQSRGKKK-UHFFFAOYSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-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)-2-[(2-chlorophenyl)methyl]pentan-1-ol
CID 106506462
1-[2,2-bis(chloromethyl)butyl]-2,4-dichlorobenzene
CID 79447331
2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 106508343
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
1-(4-bromo-2-chlorophenyl)-3-hydroxy-3-methylpentan-2-one
CID 103446834
2-(aminomethyl)-2-[(3-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508309
4-bromo-2-chloro-1-(3-methylbut-2-enyl)benzene
CID 118166664
2-(aminomethyl)-4-(4-bromophenoxy)-2-ethylbutan-1-ol
CID 106508332
2-[(2-bromo-4-fluorophenyl)methyl]-2-ethylbutan-1-amine
CID 62724903
2-(aminomethyl)-2-ethylpropane-1,3-diol
CID 22736429
2-[[(2-chloro-4-methylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106256109
(2S)-4-(4-bromo-2-chlorophenyl)butan-2-amine
CID 131126672

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol (CID 106508317) is 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol is CCC(CN)(CO)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol?
The InChIKey is ZRLDSYMQSRGKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-2-12(7-15,8-16)6-9-3-4-10(13)5-11(9)14/h3-5,16H,2,6-8,15H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol?
2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol has a molecular weight of 306.63 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(4-bromo-2-chlorophenyl)methyl]butan-1-ol is sourced from PubChem (CID 106508317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).