2-[(N-butylanilino)methyl]-5-methoxyaniline

C18H24N2O — CID 115414199

IUPAC2-[(N-butylanilino)methyl]-5-methoxyaniline
SMILESCCCCN(Cc1ccc(OC)cc1N)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-3-4-12-20(16-8-6-5-7-9-16)14-15-10-11-17(21-2)13-18(15)19/h5-11,13H,3-4,12,14,19H2,1-2H3
InChIKeyYJNHMBDITISABM-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.08
Rot. Bonds7

About 2-[(N-butylanilino)methyl]-5-methoxyaniline

2-[(N-butylanilino)methyl]-5-methoxyaniline (PubChem CID 115414199) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(N-butylanilino)methyl]-5-methoxyaniline.

Molecular Properties

Compound Name2-[(N-butylanilino)methyl]-5-methoxyaniline
PubChem CID115414199
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[(N-butylanilino)methyl]-5-methoxyaniline
SMILESCCCCN(Cc1ccc(OC)cc1N)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-3-4-12-20(16-8-6-5-7-9-16)14-15-10-11-17(21-2)13-18(15)19/h5-11,13H,3-4,12,14,19H2,1-2H3
InChIKeyYJNHMBDITISABM-UHFFFAOYSA-N
XLogP4.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline
CID 64763898
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
5-methoxy-2-[[propan-2-yl(propyl)amino]methyl]aniline
CID 113305237
N-[[2-(2-aminoethyl)phenyl]methyl]-N-butylaniline
CID 64586180
N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline
CID 154621195
2-[(N-butyl-3-methoxyanilino)methyl]benzenesulfonic acid
CID 88817471
N'-[(3-methoxyphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 28770483
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
2-benzyl-5-methoxyaniline;ethane
CID 142463807
2-(butylaminomethyl)-5-methoxyaniline
CID 115413844
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
CID 115414026
4-[(N-butylanilino)methyl]-3-methylbenzonitrile
CID 114481226

Frequently Asked Questions

What is the IUPAC name of 2-[(N-butylanilino)methyl]-5-methoxyaniline?
The IUPAC name of 2-[(N-butylanilino)methyl]-5-methoxyaniline (CID 115414199) is 2-[(N-butylanilino)methyl]-5-methoxyaniline.
What is the SMILES notation for 2-[(N-butylanilino)methyl]-5-methoxyaniline?
The canonical SMILES for 2-[(N-butylanilino)methyl]-5-methoxyaniline is CCCCN(Cc1ccc(OC)cc1N)c1ccccc1.
What is the InChIKey of 2-[(N-butylanilino)methyl]-5-methoxyaniline?
The InChIKey is YJNHMBDITISABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-4-12-20(16-8-6-5-7-9-16)14-15-10-11-17(21-2)13-18(15)19/h5-11,13H,3-4,12,14,19H2,1-2H3.
What are the key properties of 2-[(N-butylanilino)methyl]-5-methoxyaniline?
2-[(N-butylanilino)methyl]-5-methoxyaniline has a molecular weight of 284.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-butylanilino)methyl]-5-methoxyaniline is sourced from PubChem (CID 115414199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).