(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine

C12H19ClNO3P — CID 171192335

IUPAC(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C12H19ClNO3P/c1-4-16-18(15,17-5-2)12(14)10-6-7-11(13)9(3)8-10/h6-8,12H,4-5,14H2,1-3H3/t12-/m1/s1
InChIKeyVRRCSQJTUMESHM-GFCCVEGCSA-N
MW291.72 g/mol
LogP3.87
Rot. Bonds6

About (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine

(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine (PubChem CID 171192335) has the molecular formula C12H19ClNO3P and a molecular weight of 291.72 g/mol. Its IUPAC name is (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine.

Molecular Properties

Compound Name(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
PubChem CID171192335
Molecular FormulaC12H19ClNO3P
Molecular Weight291.72 g/mol
Exact Mass291.08
IUPAC Name(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine
SMILESCCOP(=O)(OCC)[C@@H](N)c1ccc(Cl)c(C)c1
InChIInChI=1S/C12H19ClNO3P/c1-4-16-18(15,17-5-2)12(14)10-6-7-11(13)9(3)8-10/h6-8,12H,4-5,14H2,1-3H3/t12-/m1/s1
InChIKeyVRRCSQJTUMESHM-GFCCVEGCSA-N
XLogP3.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
(R)-diethoxyphosphoryl-(3-fluoro-4-methylphenyl)methanamine
CID 171192177
(S)-(6-chloro-2-fluoro-3-methylphenyl)-diethoxyphosphorylmethanamine
CID 171191856
(R)-(5-bromo-2-chlorophenyl)-diethoxyphosphorylmethanamine
CID 171192167
(S)-diethoxyphosphoryl-(4-iodophenyl)methanamine
CID 171191723
(R)-(2-chloro-6-methylphenyl)-diethoxyphosphorylmethanamine
CID 171192309
(S)-(2-chloro-5-fluorophenyl)-diethoxyphosphorylmethanamine
CID 171191766
4-[(R)-amino(diethoxyphosphoryl)methyl]-2-fluorophenol
CID 171192048
4-[amino(diethoxyphosphoryl)methyl]-2-methoxyphenol
CID 102231282
(R)-diethoxyphosphoryl-(3-ethoxy-4-methoxyphenyl)methanamine
CID 171192311
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
(R)-diethoxyphosphoryl-(3-methoxyphenyl)methanamine
CID 171192082

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine?
The IUPAC name of (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine (CID 171192335) is (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine.
What is the SMILES notation for (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine?
The canonical SMILES for (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine is CCOP(=O)(OCC)[C@@H](N)c1ccc(Cl)c(C)c1.
What is the InChIKey of (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine?
The InChIKey is VRRCSQJTUMESHM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19ClNO3P/c1-4-16-18(15,17-5-2)12(14)10-6-7-11(13)9(3)8-10/h6-8,12H,4-5,14H2,1-3H3/t12-/m1/s1.
What are the key properties of (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine?
(R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine has a molecular weight of 291.72 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chloro-3-methylphenyl)-diethoxyphosphorylmethanamine is sourced from PubChem (CID 171192335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).