3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine

C17H20Cl2NOP — CID 166076955

IUPAC3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine
SMILESCN(CCC(P)c1ccc(Cl)c(Cl)c1)OCc1ccccc1
InChIInChI=1S/C17H20Cl2NOP/c1-20(21-12-13-5-3-2-4-6-13)10-9-17(22)14-7-8-15(18)16(19)11-14/h2-8,11,17H,9-10,12,22H2,1H3
InChIKeyDPBLUTXCWIWHLQ-UHFFFAOYSA-N
MW356.23 g/mol
LogP5.36
Rot. Bonds7

About 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine

3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine (PubChem CID 166076955) has the molecular formula C17H20Cl2NOP and a molecular weight of 356.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine
PubChem CID166076955
Molecular FormulaC17H20Cl2NOP
Molecular Weight356.23 g/mol
Exact Mass355.07
IUPAC Name3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine
SMILESCN(CCC(P)c1ccc(Cl)c(Cl)c1)OCc1ccccc1
InChIInChI=1S/C17H20Cl2NOP/c1-20(21-12-13-5-3-2-4-6-13)10-9-17(22)14-7-8-15(18)16(19)11-14/h2-8,11,17H,9-10,12,22H2,1H3
InChIKeyDPBLUTXCWIWHLQ-UHFFFAOYSA-N
XLogP5.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.23
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide
CID 174340138
1-(3,4-dichlorophenyl)-N-phenylmethoxypropan-1-amine
CID 82710316
N-[4-[benzyl(methyl)amino]-2-(3,4-dichlorophenyl)butyl]formamide
CID 22636687
3-(3,4-dichlorophenyl)-3-(2-phenylpropylamino)propan-1-ol
CID 67925877
1-(3,4-dichlorophenyl)-N-(1-phenylpropan-2-yl)propan-1-amine
CID 63462746
N-[3-(4-chloro-3-ethylphenyl)-3-phosphanylpropyl]-N-methylhydroxylamine
CID 166076925
(3S)-3-(3,4-dichlorophenyl)-3-phenylpropan-1-ol
CID 102297952
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
3-[(R)-(3,4-dichlorophenyl)-phenylmethoxymethyl]azetidine
CID 71516267
4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
CID 63368307
3-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83931252
N-[1-(3,4-dichlorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097372

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine (CID 166076955) is 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine is CN(CCC(P)c1ccc(Cl)c(Cl)c1)OCc1ccccc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine?
The InChIKey is DPBLUTXCWIWHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2NOP/c1-20(21-12-13-5-3-2-4-6-13)10-9-17(22)14-7-8-15(18)16(19)11-14/h2-8,11,17H,9-10,12,22H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine?
3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine has a molecular weight of 356.23 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine is sourced from PubChem (CID 166076955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).