N-[(3-butoxyphenyl)methyl]-2-methylaniline

C18H23NO — CID 39369088

IUPACN-[(3-butoxyphenyl)methyl]-2-methylaniline
SMILESCCCCOc1cccc(CNc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-3-4-12-20-17-10-7-9-16(13-17)14-19-18-11-6-5-8-15(18)2/h5-11,13,19H,3-4,12,14H2,1-2H3
InChIKeyQDVAVAKYBKLPQD-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.79
Rot. Bonds7

About N-[(3-butoxyphenyl)methyl]-2-methylaniline

N-[(3-butoxyphenyl)methyl]-2-methylaniline (PubChem CID 39369088) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]-2-methylaniline
PubChem CID39369088
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(3-butoxyphenyl)methyl]-2-methylaniline
SMILESCCCCOc1cccc(CNc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-3-4-12-20-17-10-7-9-16(13-17)14-19-18-11-6-5-8-15(18)2/h5-11,13,19H,3-4,12,14H2,1-2H3
InChIKeyQDVAVAKYBKLPQD-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.79
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

2-butoxy-N-[(3-butoxyphenyl)methyl]aniline
CID 54801697
N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
CID 39384036
N-[(3-butoxyphenyl)methyl]-3-chloro-2-methylaniline
CID 39432297
N-[(3-butoxyphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 54800030
N-[(3-butoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799934
2,3-dimethyl-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797823
2-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360348
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[(3-butoxyphenyl)methyl]-4-ethylaniline
CID 39384038
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329
[2-[(3-propoxyphenyl)methylamino]phenyl]methanol
CID 61017001

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]-2-methylaniline?
The IUPAC name of N-[(3-butoxyphenyl)methyl]-2-methylaniline (CID 39369088) is N-[(3-butoxyphenyl)methyl]-2-methylaniline.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]-2-methylaniline?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]-2-methylaniline is CCCCOc1cccc(CNc2ccccc2C)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]-2-methylaniline?
The InChIKey is QDVAVAKYBKLPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-4-12-20-17-10-7-9-16(13-17)14-19-18-11-6-5-8-15(18)2/h5-11,13,19H,3-4,12,14H2,1-2H3.
What are the key properties of N-[(3-butoxyphenyl)methyl]-2-methylaniline?
N-[(3-butoxyphenyl)methyl]-2-methylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxyphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 39369088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).