(3-methyl-2-phosphanyloxyphenyl)methanamine

C8H12NOP — CID 143384001

IUPAC(3-methyl-2-phosphanyloxyphenyl)methanamine
SMILESCc1cccc(CN)c1OP
InChIInChI=1S/C8H12NOP/c1-6-3-2-4-7(5-9)8(6)10-11/h2-4H,5,9,11H2,1H3
InChIKeyCPEMPLYJSPUBIV-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.62
Rot. Bonds2

About (3-methyl-2-phosphanyloxyphenyl)methanamine

(3-methyl-2-phosphanyloxyphenyl)methanamine (PubChem CID 143384001) has the molecular formula C8H12NOP and a molecular weight of 169.16 g/mol. Its IUPAC name is (3-methyl-2-phosphanyloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-methyl-2-phosphanyloxyphenyl)methanamine
PubChem CID143384001
Molecular FormulaC8H12NOP
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name(3-methyl-2-phosphanyloxyphenyl)methanamine
SMILESCc1cccc(CN)c1OP
InChIInChI=1S/C8H12NOP/c1-6-3-2-4-7(5-9)8(6)10-11/h2-4H,5,9,11H2,1H3
InChIKeyCPEMPLYJSPUBIV-UHFFFAOYSA-N
XLogP1.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
[3-methyl-2-(2-methylidenebutoxy)phenyl]methanamine
CID 112607493
[2-(2,5-dimethylphenoxy)-3-methylphenyl]methanamine
CID 107105904
[3-methyl-2-(1-methylpyrazol-4-yl)oxyphenyl]methanamine
CID 107105999
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807
(3-methyl-2-naphthalen-2-yloxyphenyl)methanamine
CID 107105912
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-methylphenyl]methanamine
CID 106437083
3-[[2-(aminomethyl)-6-methylphenoxy]methyl]phenol
CID 112607358
(2,3-dimethylphenyl)methanamine;hydrate;dihydrochloride
CID 67571488

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-phosphanyloxyphenyl)methanamine?
The IUPAC name of (3-methyl-2-phosphanyloxyphenyl)methanamine (CID 143384001) is (3-methyl-2-phosphanyloxyphenyl)methanamine.
What is the SMILES notation for (3-methyl-2-phosphanyloxyphenyl)methanamine?
The canonical SMILES for (3-methyl-2-phosphanyloxyphenyl)methanamine is Cc1cccc(CN)c1OP.
What is the InChIKey of (3-methyl-2-phosphanyloxyphenyl)methanamine?
The InChIKey is CPEMPLYJSPUBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NOP/c1-6-3-2-4-7(5-9)8(6)10-11/h2-4H,5,9,11H2,1H3.
What are the key properties of (3-methyl-2-phosphanyloxyphenyl)methanamine?
(3-methyl-2-phosphanyloxyphenyl)methanamine has a molecular weight of 169.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-phosphanyloxyphenyl)methanamine is sourced from PubChem (CID 143384001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).