2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol

C12H17BrClNO — CID 107954978

IUPAC2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H17BrClNO/c1-7(2)11(6-15)12(16)8-3-9(13)5-10(14)4-8/h3-5,7,11-12,16H,6,15H2,1-2H3
InChIKeyBABCFLZOAGSMOE-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.37
Rot. Bonds4

About 2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol (PubChem CID 107954978) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol
PubChem CID107954978
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H17BrClNO/c1-7(2)11(6-15)12(16)8-3-9(13)5-10(14)4-8/h3-5,7,11-12,16H,6,15H2,1-2H3
InChIKeyBABCFLZOAGSMOE-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

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Related Compounds

1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
3-amino-1-(3-bromo-5-chlorophenyl)-2-(4-chlorophenyl)propan-1-ol
CID 107954971
2-(aminomethyl)-1-(4-bromo-2-chlorophenyl)-3-methylbutan-1-ol
CID 65185943
3-amino-1-(3-bromo-5-chlorophenyl)-2-(2-bromophenyl)propan-1-ol
CID 107955038
2-(aminomethyl)-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 65185739
2-(aminomethyl)-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 65185897
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
ethyl 2-(3-bromo-5-chlorophenyl)propanoate
CID 57458807
[1-(3-bromo-5-chlorophenyl)-4-methylpentyl]hydrazine
CID 107948109
3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
CID 130002447
2-(3-bromo-5-chlorophenyl)propanoyl chloride
CID 57458809
(1S,2R)-2-amino-1-(3,5-dichlorophenyl)propan-1-ol
CID 93304578

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol (CID 107954978) is 2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol is CC(C)C(CN)C(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol?
The InChIKey is BABCFLZOAGSMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-7(2)11(6-15)12(16)8-3-9(13)5-10(14)4-8/h3-5,7,11-12,16H,6,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(3-bromo-5-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-(3-bromo-5-chlorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 107954978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).