4-methoxy-N-pentyl-N-phenylaniline

C18H23NO — CID 174868120

IUPAC4-methoxy-N-pentyl-N-phenylaniline
SMILESCCCCCN(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO/c1-3-4-8-15-19(16-9-6-5-7-10-16)17-11-13-18(20-2)14-12-17/h5-7,9-14H,3-4,8,15H2,1-2H3
InChIKeyJJBADESMFZJCEM-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.02
Rot. Bonds7

About 4-methoxy-N-pentyl-N-phenylaniline

4-methoxy-N-pentyl-N-phenylaniline (PubChem CID 174868120) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methoxy-N-pentyl-N-phenylaniline.

Molecular Properties

Compound Name4-methoxy-N-pentyl-N-phenylaniline
PubChem CID174868120
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-methoxy-N-pentyl-N-phenylaniline
SMILESCCCCCN(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H23NO/c1-3-4-8-15-19(16-9-6-5-7-10-16)17-11-13-18(20-2)14-12-17/h5-7,9-14H,3-4,8,15H2,1-2H3
InChIKeyJJBADESMFZJCEM-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butane;N-octyl-N-phenylaniline
CID 175431375
benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
anisole;1-chloropentane
CID 174500344
4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
4-methoxy-N-octyl-N-[(E)-3-phenylprop-2-enyl]aniline
CID 138518680
naphthalen-1-amine;N-nonyl-N-phenylaniline
CID 174946941
3-(N-hexadecylanilino)phenol
CID 21083116
N-hexyl-N-phenylthiophen-3-amine
CID 118311453

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-pentyl-N-phenylaniline?
The IUPAC name of 4-methoxy-N-pentyl-N-phenylaniline (CID 174868120) is 4-methoxy-N-pentyl-N-phenylaniline.
What is the SMILES notation for 4-methoxy-N-pentyl-N-phenylaniline?
The canonical SMILES for 4-methoxy-N-pentyl-N-phenylaniline is CCCCCN(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-pentyl-N-phenylaniline?
The InChIKey is JJBADESMFZJCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-4-8-15-19(16-9-6-5-7-10-16)17-11-13-18(20-2)14-12-17/h5-7,9-14H,3-4,8,15H2,1-2H3.
What are the key properties of 4-methoxy-N-pentyl-N-phenylaniline?
4-methoxy-N-pentyl-N-phenylaniline has a molecular weight of 269.39 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-pentyl-N-phenylaniline is sourced from PubChem (CID 174868120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).