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

C13H20BrNO — CID 116960199

IUPAC2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol
SMILESCNC(c1ccccc1Br)C(CO)C(C)C
InChIInChI=1S/C13H20BrNO/c1-9(2)11(8-16)13(15-3)10-6-4-5-7-12(10)14/h4-7,9,11,13,15-16H,8H2,1-3H3
InChIKeyVBTONJIKKUZWEV-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.97
Rot. Bonds5

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

2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol (PubChem CID 116960199) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol
PubChem CID116960199
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol
SMILESCNC(c1ccccc1Br)C(CO)C(C)C
InChIInChI=1S/C13H20BrNO/c1-9(2)11(8-16)13(15-3)10-6-4-5-7-12(10)14/h4-7,9,11,13,15-16H,8H2,1-3H3
InChIKeyVBTONJIKKUZWEV-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
2-[(2,4-dimethylphenyl)-(methylamino)methyl]-3-methylbutan-1-ol
CID 116960127
2-(2-bromophenyl)-6-methylheptan-1-ol
CID 83168026
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818
methyl 2-[(2-bromophenyl)-(methylamino)methyl]butanoate
CID 116960444
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
1-(2-bromophenyl)-N-methoxyethanamine
CID 78971724
(1S)-1-(2-bromophenyl)ethanol
CID 139073913
(1S)-1-(2-bromophenyl)ethanol
CID 6950331

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol (CID 116960199) is 2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol is CNC(c1ccccc1Br)C(CO)C(C)C.
What is the InChIKey of 2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol?
The InChIKey is VBTONJIKKUZWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-9(2)11(8-16)13(15-3)10-6-4-5-7-12(10)14/h4-7,9,11,13,15-16H,8H2,1-3H3.
What are the key properties of 2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol?
2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol has a molecular weight of 286.21 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)-(methylamino)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116960199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).