N-[(2-methoxyphenyl)methyl]-4-pentylaniline

C19H25NO — CID 28510048

IUPACN-[(2-methoxyphenyl)methyl]-4-pentylaniline
SMILESCCCCCc1ccc(NCc2ccccc2OC)cc1
InChIInChI=1S/C19H25NO/c1-3-4-5-8-16-11-13-18(14-12-16)20-15-17-9-6-7-10-19(17)21-2/h6-7,9-14,20H,3-5,8,15H2,1-2H3
InChIKeyPOQHPJPYJMBKOW-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.04
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-4-pentylaniline

N-[(2-methoxyphenyl)methyl]-4-pentylaniline (PubChem CID 28510048) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-pentylaniline.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-pentylaniline
PubChem CID28510048
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-pentylaniline
SMILESCCCCCc1ccc(NCc2ccccc2OC)cc1
InChIInChI=1S/C19H25NO/c1-3-4-5-8-16-11-13-18(14-12-16)20-15-17-9-6-7-10-19(17)21-2/h6-7,9-14,20H,3-5,8,15H2,1-2H3
InChIKeyPOQHPJPYJMBKOW-UHFFFAOYSA-N
XLogP5.04
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 ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43231857
1-methoxy-2-tetradecylbenzene
CID 69169530
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
CID 43769045
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
4-fluoro-N-[(2-pentoxyphenyl)methyl]aniline
CID 54796466
4-heptoxy-N-[(2-pentoxyphenyl)methyl]aniline
CID 54799636
3-(3-aminopropyl)-N-[(2-methoxyphenyl)methyl]aniline
CID 46194968
4-[4-[(2-ethoxyphenyl)methylamino]phenyl]butanoic acid
CID 21037057
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327186

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-pentylaniline?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-pentylaniline (CID 28510048) is N-[(2-methoxyphenyl)methyl]-4-pentylaniline.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-pentylaniline?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-pentylaniline is CCCCCc1ccc(NCc2ccccc2OC)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-pentylaniline?
The InChIKey is POQHPJPYJMBKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-5-8-16-11-13-18(14-12-16)20-15-17-9-6-7-10-19(17)21-2/h6-7,9-14,20H,3-5,8,15H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-pentylaniline?
N-[(2-methoxyphenyl)methyl]-4-pentylaniline has a molecular weight of 283.42 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-pentylaniline is sourced from PubChem (CID 28510048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).