N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine

C9H13ClNO2P — CID 10585736

IUPACN-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine
SMILESCc1ccc(OP(=O)(Cl)N(C)C)cc1
InChIInChI=1S/C9H13ClNO2P/c1-8-4-6-9(7-5-8)13-14(10,12)11(2)3/h4-7H,1-3H3
InChIKeyHPWXHXMJIXCZKC-UHFFFAOYSA-N
MW233.64 g/mol
LogP3.28
Rot. Bonds3

About N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine

N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine (PubChem CID 10585736) has the molecular formula C9H13ClNO2P and a molecular weight of 233.64 g/mol. Its IUPAC name is N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine
PubChem CID10585736
Molecular FormulaC9H13ClNO2P
Molecular Weight233.64 g/mol
Exact Mass233.04
IUPAC NameN-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine
SMILESCc1ccc(OP(=O)(Cl)N(C)C)cc1
InChIInChI=1S/C9H13ClNO2P/c1-8-4-6-9(7-5-8)13-14(10,12)11(2)3/h4-7H,1-3H3
InChIKeyHPWXHXMJIXCZKC-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.64
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bromosilver;tris(4-methylphenyl) phosphate
CID 160750734
CID 67928069
CID 67928069
alumane;tris(4-methylphenyl) phosphate
CID 174515145
potassium;tris(4-methylphenyl) phosphate;hydroxide
CID 174496858
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
CID 54463296
magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
dimagnesium;(4-methylphenyl) phosphate;dichloride
CID 153434110
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
prop-1-ene;tris(4-methylphenyl) phosphate
CID 174447332
isocyanic acid;tris(4-methylphenyl) phosphate
CID 174832408
N-[(4-chlorophenoxy)-methylphosphoryl]-4-methylaniline
CID 11860048

Frequently Asked Questions

What is the IUPAC name of N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine (CID 10585736) is N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine is Cc1ccc(OP(=O)(Cl)N(C)C)cc1.
What is the InChIKey of N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine?
The InChIKey is HPWXHXMJIXCZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClNO2P/c1-8-4-6-9(7-5-8)13-14(10,12)11(2)3/h4-7H,1-3H3.
What are the key properties of N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine?
N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine has a molecular weight of 233.64 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro-(4-methylphenoxy)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 10585736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).