1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine

C17H22NOP — CID 176995355

IUPAC1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC(C)Oc1ccccc1CNC(P)c1ccccc1
InChIInChI=1S/C17H22NOP/c1-13(2)19-16-11-7-6-10-15(16)12-18-17(20)14-8-4-3-5-9-14/h3-11,13,17-18H,12,20H2,1-2H3
InChIKeyDIWFQCHMQNSAAB-UHFFFAOYSA-N
MW287.34 g/mol
LogP4.14
Rot. Bonds6

About 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine

1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine (PubChem CID 176995355) has the molecular formula C17H22NOP and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
PubChem CID176995355
Molecular FormulaC17H22NOP
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
SMILESCC(C)Oc1ccccc1CNC(P)c1ccccc1
InChIInChI=1S/C17H22NOP/c1-13(2)19-16-11-7-6-10-15(16)12-18-17(20)14-8-4-3-5-9-14/h3-11,13,17-18H,12,20H2,1-2H3
InChIKeyDIWFQCHMQNSAAB-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 54.14
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-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
1-(4-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 43221556
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
N,N-dimethyl-2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43778094
methyl (2S)-2-[(2-propan-2-yloxyphenyl)methylamino]propanoate
CID 43786699
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
N-[(2-propan-2-yloxyphenyl)methyl]pent-4-en-2-amine
CID 115633108
2-[ethyl(methyl)amino]-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 56521548
N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848917

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
The IUPAC name of 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine (CID 176995355) is 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
The canonical SMILES for 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine is CC(C)Oc1ccccc1CNC(P)c1ccccc1.
What is the InChIKey of 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
The InChIKey is DIWFQCHMQNSAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NOP/c1-13(2)19-16-11-7-6-10-15(16)12-18-17(20)14-8-4-3-5-9-14/h3-11,13,17-18H,12,20H2,1-2H3.
What are the key properties of 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine?
1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine has a molecular weight of 287.34 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine is sourced from PubChem (CID 176995355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).