N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine

C12H19ClNOP — CID 166076925

IUPACN-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine
SMILESCCc1cc(C(P)CCN(C)O)ccc1Cl
InChIInChI=1S/C12H19ClNOP/c1-3-9-8-10(4-5-11(9)13)12(16)6-7-14(2)15/h4-5,8,12,15H,3,6-7,16H2,1-2H3
InChIKeyLRKKSSSPLQBOLS-UHFFFAOYSA-N
MW259.72 g/mol
LogP3.53
Rot. Bonds5

About N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine

N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine (PubChem CID 166076925) has the molecular formula C12H19ClNOP and a molecular weight of 259.72 g/mol. Its IUPAC name is N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine
PubChem CID166076925
Molecular FormulaC12H19ClNOP
Molecular Weight259.72 g/mol
Exact Mass259.09
IUPAC NameN-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine
SMILESCCc1cc(C(P)CCN(C)O)ccc1Cl
InChIInChI=1S/C12H19ClNOP/c1-3-9-8-10(4-5-11(9)13)12(16)6-7-14(2)15/h4-5,8,12,15H,3,6-7,16H2,1-2H3
InChIKeyLRKKSSSPLQBOLS-UHFFFAOYSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(4-chloro-3-ethylphenyl)ethanol
CID 166687598
1-chloro-1-(4-chloro-3-ethylphenyl)propan-2-one
CID 131057719
2-bromo-1-(4-chloro-3-ethylphenyl)propan-1-one
CID 131030285
3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine
CID 166076955
[2-chloro-5-(1-hydroxyethyl)phenyl]methanesulfinic acid
CID 174609981
1-(4-chloro-3-ethylphenoxy)propan-2-ol
CID 65277368
1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84673745
4-chloro-3-ethylbenzoic acid
CID 21412279
1-(4-chloro-3-ethylphenyl)-2-phenylbutan-1-one
CID 146008361
2-(4-chloro-3-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 112775393
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
(4-chloro-3-ethylphenyl) hydrogen sulfite
CID 57231070

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine?
The IUPAC name of N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine (CID 166076925) is N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine?
The canonical SMILES for N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine is CCc1cc(C(P)CCN(C)O)ccc1Cl.
What is the InChIKey of N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine?
The InChIKey is LRKKSSSPLQBOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClNOP/c1-3-9-8-10(4-5-11(9)13)12(16)6-7-14(2)15/h4-5,8,12,15H,3,6-7,16H2,1-2H3.
What are the key properties of N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine?
N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine has a molecular weight of 259.72 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine is sourced from PubChem (CID 166076925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).