5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline

C26H32N2O — CID 70412352

IUPAC5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
SMILESCCCCC(NCCc1ccccc1)c1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C26H32N2O/c1-2-3-14-25(28-18-17-21-10-6-4-7-11-21)23-15-16-26(24(27)19-23)29-20-22-12-8-5-9-13-22/h4-13,15-16,19,25,28H,2-3,14,17-18,20,27H2,1H3
InChIKeyODCALLWPSWOPKJ-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.91
Rot. Bonds11

About 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline

5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline (PubChem CID 70412352) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline.

Molecular Properties

Compound Name5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
PubChem CID70412352
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline
SMILESCCCCC(NCCc1ccccc1)c1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C26H32N2O/c1-2-3-14-25(28-18-17-21-10-6-4-7-11-21)23-15-16-26(24(27)19-23)29-20-22-12-8-5-9-13-22/h4-13,15-16,19,25,28H,2-3,14,17-18,20,27H2,1H3
InChIKeyODCALLWPSWOPKJ-UHFFFAOYSA-N
XLogP5.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide
CID 70412672
4-[2-[1-(3-nitro-4-phenylmethoxyphenyl)pentylamino]ethyl]aniline
CID 70411446
5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine
CID 70392380
5-(dimethoxymethyl)-2-phenylmethoxyaniline
CID 154099564
2-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
CID 82153119
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
1-(3-methoxy-4-phenylmethoxyphenyl)-N-propylpropan-1-amine
CID 133207496
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171212991
N-[3-[1-[2-(4-phenylmethoxyphenyl)ethylamino]hexyl]phenyl]acetamide
CID 70412384
1-[2-hydroxy-5-[1-(2-phenylethylamino)pentyl]phenyl]-3-methylurea
CID 70411591
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171212993
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline?
The IUPAC name of 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline (CID 70412352) is 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline.
What is the SMILES notation for 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline?
The canonical SMILES for 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline is CCCCC(NCCc1ccccc1)c1ccc(OCc2ccccc2)c(N)c1.
What is the InChIKey of 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline?
The InChIKey is ODCALLWPSWOPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-2-3-14-25(28-18-17-21-10-6-4-7-11-21)23-15-16-26(24(27)19-23)29-20-22-12-8-5-9-13-22/h4-13,15-16,19,25,28H,2-3,14,17-18,20,27H2,1H3.
What are the key properties of 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline?
5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline has a molecular weight of 388.56 g/mol, XLogP of 5.91, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyaniline is sourced from PubChem (CID 70412352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).