1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine

C14H18NO4P — CID 101448203

IUPAC1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine
SMILESCOP(=O)(OC)C(NCc1ccco1)c1ccccc1
InChIInChI=1S/C14H18NO4P/c1-17-20(16,18-2)14(12-7-4-3-5-8-12)15-11-13-9-6-10-19-13/h3-10,14-15H,11H2,1-2H3
InChIKeyHKCJLLCSDDPFHU-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.55
Rot. Bonds7

About 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine

1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine (PubChem CID 101448203) has the molecular formula C14H18NO4P and a molecular weight of 295.28 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine
PubChem CID101448203
Molecular FormulaC14H18NO4P
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine
SMILESCOP(=O)(OC)C(NCc1ccco1)c1ccccc1
InChIInChI=1S/C14H18NO4P/c1-17-20(16,18-2)14(12-7-4-3-5-8-12)15-11-13-9-6-10-19-13/h3-10,14-15H,11H2,1-2H3
InChIKeyHKCJLLCSDDPFHU-UHFFFAOYSA-N
XLogP3.55
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
methyl 3-(furan-2-ylmethylamino)-3-phenylpropanoate
CID 83320549
N-benzyl-1-dimethoxyphosphoryl-1-(4-fluorophenyl)methanamine
CID 563390
N-benzyl-1-dimethoxyphosphoryl-1-(3-methoxyphenyl)methanamine
CID 102366933
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid
CID 84750176
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate
CID 23332336
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-phenylethyl]urea
CID 51729179
(2S)-N-[(S)-dimethoxyphosphoryl(phenyl)methyl]-3,3-dimethylbutan-2-amine
CID 50924024

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine?
The IUPAC name of 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine (CID 101448203) is 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine.
What is the SMILES notation for 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine?
The canonical SMILES for 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine is COP(=O)(OC)C(NCc1ccco1)c1ccccc1.
What is the InChIKey of 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine?
The InChIKey is HKCJLLCSDDPFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18NO4P/c1-17-20(16,18-2)14(12-7-4-3-5-8-12)15-11-13-9-6-10-19-13/h3-10,14-15H,11H2,1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine?
1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine has a molecular weight of 295.28 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine is sourced from PubChem (CID 101448203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).