1-bromo-2-methylbenzene;N-phosphanylmethanamine

C8H13BrNP — CID 91254486

IUPAC1-bromo-2-methylbenzene;N-phosphanylmethanamine
SMILESCNP.Cc1ccccc1Br
InChIInChI=1S/C7H7Br.CH6NP/c1-6-4-2-3-5-7(6)8;1-2-3/h2-5H,1H3;2H,3H2,1H3
InChIKeyHPHPEPFFDJYUGW-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.75
Rot. Bonds

About 1-bromo-2-methylbenzene;N-phosphanylmethanamine

1-bromo-2-methylbenzene;N-phosphanylmethanamine (PubChem CID 91254486) has the molecular formula C8H13BrNP and a molecular weight of 234.08 g/mol. Its IUPAC name is 1-bromo-2-methylbenzene;N-phosphanylmethanamine.

Molecular Properties

Compound Name1-bromo-2-methylbenzene;N-phosphanylmethanamine
PubChem CID91254486
Molecular FormulaC8H13BrNP
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name1-bromo-2-methylbenzene;N-phosphanylmethanamine
SMILESCNP.Cc1ccccc1Br
InChIInChI=1S/C7H7Br.CH6NP/c1-6-4-2-3-5-7(6)8;1-2-3/h2-5H,1H3;2H,3H2,1H3
InChIKeyHPHPEPFFDJYUGW-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-Bromophenethylamine
CID 2734091
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1-Bromo-2-propylbenzene
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1-Allyl-2-bromobenzene
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2-(But-3-en-1-yl)bromobenzene
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1-Bromo-2-(pent-4-en-1-yl)benzene
CID 18786487
4-(2-Bromophenyl)-2-methyl-1-butene
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2-(2-Bromophenyl)ethan-1-amine hydrochloride
CID 66717501
1-Bromo-2-butylbenzene
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3-(2-Bromophenyl)-1-propanamine
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylbenzene;N-phosphanylmethanamine?
The IUPAC name of 1-bromo-2-methylbenzene;N-phosphanylmethanamine (CID 91254486) is 1-bromo-2-methylbenzene;N-phosphanylmethanamine.
What is the SMILES notation for 1-bromo-2-methylbenzene;N-phosphanylmethanamine?
The canonical SMILES for 1-bromo-2-methylbenzene;N-phosphanylmethanamine is CNP.Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-methylbenzene;N-phosphanylmethanamine?
The InChIKey is HPHPEPFFDJYUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br.CH6NP/c1-6-4-2-3-5-7(6)8;1-2-3/h2-5H,1H3;2H,3H2,1H3.
What are the key properties of 1-bromo-2-methylbenzene;N-phosphanylmethanamine?
1-bromo-2-methylbenzene;N-phosphanylmethanamine has a molecular weight of 234.08 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylbenzene;N-phosphanylmethanamine is sourced from PubChem (CID 91254486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).