[2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol

C12H18BrNO — CID 115929258

IUPAC[2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol
SMILESCC(C)C(C)Nc1cccc(Br)c1CO
InChIInChI=1S/C12H18BrNO/c1-8(2)9(3)14-12-6-4-5-11(13)10(12)7-15/h4-6,8-9,14-15H,7H2,1-3H3
InChIKeyBMBZGDHVOICMQE-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.40
Rot. Bonds4

About [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol

[2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol (PubChem CID 115929258) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol
PubChem CID115929258
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name[2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol
SMILESCC(C)C(C)Nc1cccc(Br)c1CO
InChIInChI=1S/C12H18BrNO/c1-8(2)9(3)14-12-6-4-5-11(13)10(12)7-15/h4-6,8-9,14-15H,7H2,1-3H3
InChIKeyBMBZGDHVOICMQE-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-bromo-2-(hydroxymethyl)anilino]butanamide
CID 115929266
N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide
CID 130718807
(2S)-2-[2-(aminomethyl)-3-bromoanilino]-3-methylbutan-1-ol
CID 114986435
[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol
CID 115885001
2-bromo-6-[(4-hydroxy-3-methylbutan-2-yl)amino]benzonitrile
CID 114881397
2-bromo-6-[(4-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 114888447
3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 61166779
[2-bromo-6-(1H-pyrrol-3-ylmethylamino)phenyl]methanol
CID 115744128
5-[1-[3-bromo-2-(methoxymethyl)anilino]ethyl]benzene-1,3-diol
CID 107706265
2-bromo-4-methyl-N-(3-methylbutan-2-yl)aniline
CID 43099892
2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclopentylpropanamide
CID 61165998
4-(3-bromo-2-methylanilino)pentan-1-ol
CID 115976130

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol?
The IUPAC name of [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol (CID 115929258) is [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol.
What is the SMILES notation for [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol?
The canonical SMILES for [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol is CC(C)C(C)Nc1cccc(Br)c1CO.
What is the InChIKey of [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol?
The InChIKey is BMBZGDHVOICMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-8(2)9(3)14-12-6-4-5-11(13)10(12)7-15/h4-6,8-9,14-15H,7H2,1-3H3.
What are the key properties of [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol?
[2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol has a molecular weight of 272.19 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol is sourced from PubChem (CID 115929258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).