N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine

C17H22N2O — CID 20504988

IUPACN-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine
SMILESCCOc1ccccc1NC(CCN)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-2-20-17-11-7-6-10-16(17)19-15(12-13-18)14-8-4-3-5-9-14/h3-11,15,19H,2,12-13,18H2,1H3
InChIKeyDUOHVBPNNQTXDW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.59
Rot. Bonds7

About N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine

N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine (PubChem CID 20504988) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine
PubChem CID20504988
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine
SMILESCCOc1ccccc1NC(CCN)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-2-20-17-11-7-6-10-16(17)19-15(12-13-18)14-8-4-3-5-9-14/h3-11,15,19H,2,12-13,18H2,1H3
InChIKeyDUOHVBPNNQTXDW-UHFFFAOYSA-N
XLogP3.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyanilino)-3-phenylpropanenitrile
CID 62778692
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
methyl 3-[2-(methoxymethoxy)anilino]-3-phenylpropanoate
CID 101063224
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-(2-ethoxyphenyl)-3-[(1S)-3-methyl-1-phenylbutyl]thiourea
CID 100653732
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738
N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
CID 115920665
2-(2-ethoxyanilino)butanamide
CID 62900399
N-cyclopropyl-2-(2-ethoxyanilino)-2-phenylacetamide
CID 17489440
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
2-ethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43191741

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine (CID 20504988) is N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine is CCOc1ccccc1NC(CCN)c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine?
The InChIKey is DUOHVBPNNQTXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-20-17-11-7-6-10-16(17)19-15(12-13-18)14-8-4-3-5-9-14/h3-11,15,19H,2,12-13,18H2,1H3.
What are the key properties of N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine?
N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 20504988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).