N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline

C19H26N2 — CID 63551592

IUPACN-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(CC)c1ccc(C)cc1
InChIInChI=1S/C19H26N2/c1-4-14-20-15-17-8-6-7-9-19(17)21(5-2)18-12-10-16(3)11-13-18/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyAQBNMDYZCBJMRW-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.65
Rot. Bonds7

About N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline

N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline (PubChem CID 63551592) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
PubChem CID63551592
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(CC)c1ccc(C)cc1
InChIInChI=1S/C19H26N2/c1-4-14-20-15-17-8-6-7-9-19(17)21(5-2)18-12-10-16(3)11-13-18/h6-13,20H,4-5,14-15H2,1-3H3
InChIKeyAQBNMDYZCBJMRW-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.65
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-ethyl-N-(4-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63550661
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 63551774
2-(2-aminopropyl)-N-ethyl-N-(4-methylphenyl)aniline
CID 63816327
N-ethyl-2-fluoro-N-[4-(propylaminomethyl)phenyl]aniline
CID 63552706
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
N-ethyl-N-[2-(ethylaminomethyl)phenyl]-2-methylaniline
CID 43280687
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83180589
N-ethyl-N-(4-methylphenyl)-4-(propylaminomethyl)pyridin-2-amine
CID 62294939

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline?
The IUPAC name of N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline (CID 63551592) is N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline?
The canonical SMILES for N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(CC)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline?
The InChIKey is AQBNMDYZCBJMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-14-20-15-17-8-6-7-9-19(17)21(5-2)18-12-10-16(3)11-13-18/h6-13,20H,4-5,14-15H2,1-3H3.
What are the key properties of N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline?
N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline has a molecular weight of 282.43 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline is sourced from PubChem (CID 63551592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).