(4-bromo-2-methylphenyl)methanamine;methanol

C9H14BrNO — CID 142518771

IUPAC(4-bromo-2-methylphenyl)methanamine;methanol
SMILESCO.Cc1cc(Br)ccc1CN
InChIInChI=1S/C8H10BrN.CH4O/c1-6-4-8(9)3-2-7(6)5-10;1-2/h2-4H,5,10H2,1H3;2H,1H3
InChIKeyGJSWGPZKHFTULR-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.82
Rot. Bonds1

About (4-bromo-2-methylphenyl)methanamine;methanol

(4-bromo-2-methylphenyl)methanamine;methanol (PubChem CID 142518771) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)methanamine;methanol.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)methanamine;methanol
PubChem CID142518771
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name(4-bromo-2-methylphenyl)methanamine;methanol
SMILESCO.Cc1cc(Br)ccc1CN
InChIInChI=1S/C8H10BrN.CH4O/c1-6-4-8(9)3-2-7(6)5-10;1-2/h2-4H,5,10H2,1H3;2H,1H3
InChIKeyGJSWGPZKHFTULR-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methylphenyl)methanamine;hydrochloride
CID 75481848
(6-bromo-3-methylnaphthalen-2-yl)methanamine
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N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 20595379
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
(4-bromo-2-ethylphenyl)methanamine;ethane
CID 143720701
4-bromo-1-(2-iodoethyl)-2-methylbenzene
CID 66577923
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
1-[(4-bromo-2-methylphenyl)methyl]cyclopropan-1-ol
CID 117354310
3-(4-bromo-2-methylphenyl)propanoic acid
CID 69202839
1-(4-bromo-2-methylphenyl)-3-sulfanylpropan-2-one
CID 58139329

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)methanamine;methanol?
The IUPAC name of (4-bromo-2-methylphenyl)methanamine;methanol (CID 142518771) is (4-bromo-2-methylphenyl)methanamine;methanol.
What is the SMILES notation for (4-bromo-2-methylphenyl)methanamine;methanol?
The canonical SMILES for (4-bromo-2-methylphenyl)methanamine;methanol is CO.Cc1cc(Br)ccc1CN.
What is the InChIKey of (4-bromo-2-methylphenyl)methanamine;methanol?
The InChIKey is GJSWGPZKHFTULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN.CH4O/c1-6-4-8(9)3-2-7(6)5-10;1-2/h2-4H,5,10H2,1H3;2H,1H3.
What are the key properties of (4-bromo-2-methylphenyl)methanamine;methanol?
(4-bromo-2-methylphenyl)methanamine;methanol has a molecular weight of 232.12 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)methanamine;methanol is sourced from PubChem (CID 142518771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).