2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol

C13H20BrNO — CID 115137658

IUPAC2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)Cc1ccccc1Br
InChIInChI=1S/C13H20BrNO/c1-10(2)13(9-16)15(3)8-11-6-4-5-7-12(11)14/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyFOOJMLNEZVWTMI-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.90
Rot. Bonds5

About 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol

2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol (PubChem CID 115137658) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
PubChem CID115137658
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)N(C)Cc1ccccc1Br
InChIInChI=1S/C13H20BrNO/c1-10(2)13(9-16)15(3)8-11-6-4-5-7-12(11)14/h4-7,10,13,16H,8-9H2,1-3H3
InChIKeyFOOJMLNEZVWTMI-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate
CID 60705715
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
CID 66060049
2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide
CID 55430697
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
3-methyl-2-[methyl-[(2-methyl-5-propan-2-ylphenyl)methyl]amino]butan-1-ol
CID 115137620
2-N-[(2-bromophenyl)methyl]-4-methoxy-2-N,4-dimethylpentane-1,2-diamine
CID 106675587
methyl 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3-methylbutanoate
CID 115253420
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137582
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
2-N-[(2-bromophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62570545
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072605

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol (CID 115137658) is 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol is CC(C)C(CO)N(C)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol?
The InChIKey is FOOJMLNEZVWTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10(2)13(9-16)15(3)8-11-6-4-5-7-12(11)14/h4-7,10,13,16H,8-9H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol?
2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol has a molecular weight of 286.21 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 115137658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).