1,1-diphenyl-N-propoxymethanamine

C16H19NO — CID 134994702

IUPAC1,1-diphenyl-N-propoxymethanamine
SMILESCCCONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-13-18-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3
InChIKeyHAQGHCQSOPRXQD-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.71
Rot. Bonds6

About 1,1-diphenyl-N-propoxymethanamine

1,1-diphenyl-N-propoxymethanamine (PubChem CID 134994702) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1,1-diphenyl-N-propoxymethanamine.

Molecular Properties

Compound Name1,1-diphenyl-N-propoxymethanamine
PubChem CID134994702
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1,1-diphenyl-N-propoxymethanamine
SMILESCCCONC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-2-13-18-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3
InChIKeyHAQGHCQSOPRXQD-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzhydrylamine
CID 7036
1,2-Diphenylethylamine
CID 26482
(1R,2R)-(+)-1,2-Diphenylethylenediamine
CID 2724998
Meso-1,2-Diphenylethylenediamine
CID 6931234
1,2-Diphenylethane-1,2-diamine
CID 110695
1,2-Diphenylethan-1-amine hydrochloride
CID 91161
(1S,2S)-1,2-diphenylethane-1,2-diamine
CID 6931238
Benzhydrylammonium chloride
CID 78921
(1S)-1,2-diphenylethan-1-amine
CID 1383071
1,3-Diphenylpropylamine
CID 110690
A-phenyl-beta-(p-tolyl)ethylamine
CID 191086
Ethylamine, 1,2-diphenyl-, hydrochloride, (+)-
CID 26481

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-propoxymethanamine?
The IUPAC name of 1,1-diphenyl-N-propoxymethanamine (CID 134994702) is 1,1-diphenyl-N-propoxymethanamine.
What is the SMILES notation for 1,1-diphenyl-N-propoxymethanamine?
The canonical SMILES for 1,1-diphenyl-N-propoxymethanamine is CCCONC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-N-propoxymethanamine?
The InChIKey is HAQGHCQSOPRXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-13-18-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3.
What are the key properties of 1,1-diphenyl-N-propoxymethanamine?
1,1-diphenyl-N-propoxymethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-propoxymethanamine is sourced from PubChem (CID 134994702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).