4-methoxy-N-(1-phenylhexyl)aniline

C19H25NO — CID 43766012

IUPAC4-methoxy-N-(1-phenylhexyl)aniline
SMILESCCCCCC(Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-4-6-11-19(16-9-7-5-8-10-16)20-17-12-14-18(21-2)15-13-17/h5,7-10,12-15,19-20H,3-4,6,11H2,1-2H3
InChIKeyVJXVZMNJYJFXDB-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.43
Rot. Bonds8

About 4-methoxy-N-(1-phenylhexyl)aniline

4-methoxy-N-(1-phenylhexyl)aniline (PubChem CID 43766012) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-methoxy-N-(1-phenylhexyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(1-phenylhexyl)aniline
PubChem CID43766012
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-methoxy-N-(1-phenylhexyl)aniline
SMILESCCCCCC(Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-3-4-6-11-19(16-9-7-5-8-10-16)20-17-12-14-18(21-2)15-13-17/h5,7-10,12-15,19-20H,3-4,6,11H2,1-2H3
InChIKeyVJXVZMNJYJFXDB-UHFFFAOYSA-N
XLogP5.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
N-methoxy-1-phenylhexan-1-amine
CID 82707077
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
4-methoxy-N-(1-phenylheptan-3-yl)aniline
CID 85304689
4-methoxy-N-[(1R)-1-phenylundec-2-ynyl]aniline
CID 122206072
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
N-pentyl-1-phenyldecan-1-amine
CID 10380274
4-methoxy-N-[1-(3-methoxyphenyl)propyl]aniline
CID 46204143

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-phenylhexyl)aniline?
The IUPAC name of 4-methoxy-N-(1-phenylhexyl)aniline (CID 43766012) is 4-methoxy-N-(1-phenylhexyl)aniline.
What is the SMILES notation for 4-methoxy-N-(1-phenylhexyl)aniline?
The canonical SMILES for 4-methoxy-N-(1-phenylhexyl)aniline is CCCCCC(Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 4-methoxy-N-(1-phenylhexyl)aniline?
The InChIKey is VJXVZMNJYJFXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-6-11-19(16-9-7-5-8-10-16)20-17-12-14-18(21-2)15-13-17/h5,7-10,12-15,19-20H,3-4,6,11H2,1-2H3.
What are the key properties of 4-methoxy-N-(1-phenylhexyl)aniline?
4-methoxy-N-(1-phenylhexyl)aniline has a molecular weight of 283.42 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-phenylhexyl)aniline is sourced from PubChem (CID 43766012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).