N-[(3-butoxyphenyl)methyl]-4-ethylaniline

C19H25NO — CID 39384038

IUPACN-[(3-butoxyphenyl)methyl]-4-ethylaniline
SMILESCCCCOc1cccc(CNc2ccc(CC)cc2)c1
InChIInChI=1S/C19H25NO/c1-3-5-13-21-19-8-6-7-17(14-19)15-20-18-11-9-16(4-2)10-12-18/h6-12,14,20H,3-5,13,15H2,1-2H3
InChIKeyGXIQSAHPOUAOQI-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.04
Rot. Bonds8

About N-[(3-butoxyphenyl)methyl]-4-ethylaniline

N-[(3-butoxyphenyl)methyl]-4-ethylaniline (PubChem CID 39384038) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]-4-ethylaniline
PubChem CID39384038
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(3-butoxyphenyl)methyl]-4-ethylaniline
SMILESCCCCOc1cccc(CNc2ccc(CC)cc2)c1
InChIInChI=1S/C19H25NO/c1-3-5-13-21-19-8-6-7-17(14-19)15-20-18-11-9-16(4-2)10-12-18/h6-12,14,20H,3-5,13,15H2,1-2H3
InChIKeyGXIQSAHPOUAOQI-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'}

Analyze N-[(3-butoxyphenyl)methyl]-4-ethylaniline 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]-4-(2-phenoxyethoxy)aniline
CID 54799934
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-butoxyphenyl)methyl]-3-heptoxyaniline
CID 54802329
4-hexoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54798860
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
N-[(3-butoxyphenyl)methyl]-3-chloroaniline
CID 39394943
2-[3-[(4-ethylanilino)methyl]phenoxy]acetonitrile
CID 43764258
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
N-[(3-butoxyphenyl)methyl]-2,6-dimethylaniline
CID 39384036
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[(3-chlorophenyl)methyl]-4-hexoxyaniline
CID 54798771

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]-4-ethylaniline?
The IUPAC name of N-[(3-butoxyphenyl)methyl]-4-ethylaniline (CID 39384038) is N-[(3-butoxyphenyl)methyl]-4-ethylaniline.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]-4-ethylaniline?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]-4-ethylaniline is CCCCOc1cccc(CNc2ccc(CC)cc2)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]-4-ethylaniline?
The InChIKey is GXIQSAHPOUAOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-5-13-21-19-8-6-7-17(14-19)15-20-18-11-9-16(4-2)10-12-18/h6-12,14,20H,3-5,13,15H2,1-2H3.
What are the key properties of N-[(3-butoxyphenyl)methyl]-4-ethylaniline?
N-[(3-butoxyphenyl)methyl]-4-ethylaniline 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-[(3-butoxyphenyl)methyl]-4-ethylaniline is sourced from PubChem (CID 39384038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).