2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline

C25H29NO2 — CID 54801329

IUPAC2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C25H29NO2/c1-2-18-27-24-16-8-6-14-22(24)20-26-23-15-7-9-17-25(23)28-19-10-13-21-11-4-3-5-12-21/h3-9,11-12,14-17,26H,2,10,13,18-20H2,1H3
InChIKeyQUTMVFIIYFKLGA-UHFFFAOYSA-N
MW375.51 g/mol
LogP6.10
Rot. Bonds11

About 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline

2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline (PubChem CID 54801329) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
PubChem CID54801329
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccccc1CNc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C25H29NO2/c1-2-18-27-24-16-8-6-14-22(24)20-26-23-15-7-9-17-25(23)28-19-10-13-21-11-4-3-5-12-21/h3-9,11-12,14-17,26H,2,10,13,18-20H2,1H3
InChIKeyQUTMVFIIYFKLGA-UHFFFAOYSA-N
XLogP6.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323
2-(3-phenylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54801278
2-butoxy-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54801593
2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
N-[(4-heptoxyphenyl)methyl]-2-(3-phenylpropoxy)aniline
CID 54801229
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
CID 29221946
N-[[2-(2-phenylethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795991
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801303
2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide
CID 54827103
N-[(2-fluorophenyl)methyl]-2-pentoxyaniline
CID 83961637
N-[[4-(2-methylpropoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801301

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline?
The IUPAC name of 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline (CID 54801329) is 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline?
The canonical SMILES for 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline is CCCOc1ccccc1CNc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline?
The InChIKey is QUTMVFIIYFKLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-2-18-27-24-16-8-6-14-22(24)20-26-23-15-7-9-17-25(23)28-19-10-13-21-11-4-3-5-12-21/h3-9,11-12,14-17,26H,2,10,13,18-20H2,1H3.
What are the key properties of 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline?
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline has a molecular weight of 375.51 g/mol, XLogP of 6.10, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 54801329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).