N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline

C19H25NO — CID 39384036

IUPACN-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
SMILESCCCCOc1cccc(CNc2c(C)cccc2C)c1
InChIInChI=1S/C19H25NO/c1-4-5-12-21-18-11-7-10-17(13-18)14-20-19-15(2)8-6-9-16(19)3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyMORHGRQEHWARFW-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.09
Rot. Bonds7

About N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline

N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline (PubChem CID 39384036) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
PubChem CID39384036
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
SMILESCCCCOc1cccc(CNc2c(C)cccc2C)c1
InChIInChI=1S/C19H25NO/c1-4-5-12-21-18-11-7-10-17(13-18)14-20-19-15(2)8-6-9-16(19)3/h6-11,13,20H,4-5,12,14H2,1-3H3
InChIKeyMORHGRQEHWARFW-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-butoxyphenyl)methyl]-2-methylaniline
CID 39369088
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[(3-butoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799934
N-[(3-butoxyphenyl)methyl]-4-ethylaniline
CID 39384038
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329
N-[(3-ethoxyphenyl)methyl]-2,4,6-trimethylaniline
CID 39368420
1-(3-butoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54804115
2-butoxy-N-[(3-butoxyphenyl)methyl]aniline
CID 54801697
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
N-[(3-butoxyphenyl)methyl]-3-chloro-2-methylaniline
CID 39432297
2,6-dichloro-N-[(3-propoxyphenyl)methyl]aniline
CID 65467770

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline?
The IUPAC name of N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline (CID 39384036) is N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline is CCCCOc1cccc(CNc2c(C)cccc2C)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline?
The InChIKey is MORHGRQEHWARFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-5-12-21-18-11-7-10-17(13-18)14-20-19-15(2)8-6-9-16(19)3/h6-11,13,20H,4-5,12,14H2,1-3H3.
What are the key properties of N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline?
N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline has a molecular weight of 283.42 g/mol, XLogP of 5.09, 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]-2,6-dimethylaniline is sourced from PubChem (CID 39384036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).