4-[[decyl(ethyl)amino]methyl]aniline

C19H34N2 — CID 63532932

IUPAC4-[[decyl(ethyl)amino]methyl]aniline
SMILESCCCCCCCCCCN(CC)Cc1ccc(N)cc1
InChIInChI=1S/C19H34N2/c1-3-5-6-7-8-9-10-11-16-21(4-2)17-18-12-14-19(20)15-13-18/h12-15H,3-11,16-17,20H2,1-2H3
InChIKeyQQCHKMYQWNFXBO-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.23
Rot. Bonds12

About 4-[[decyl(ethyl)amino]methyl]aniline

4-[[decyl(ethyl)amino]methyl]aniline (PubChem CID 63532932) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 4-[[decyl(ethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[decyl(ethyl)amino]methyl]aniline
PubChem CID63532932
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name4-[[decyl(ethyl)amino]methyl]aniline
SMILESCCCCCCCCCCN(CC)Cc1ccc(N)cc1
InChIInChI=1S/C19H34N2/c1-3-5-6-7-8-9-10-11-16-21(4-2)17-18-12-14-19(20)15-13-18/h12-15H,3-11,16-17,20H2,1-2H3
InChIKeyQQCHKMYQWNFXBO-UHFFFAOYSA-N
XLogP5.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
4-[[pentyl(propyl)amino]methyl]aniline;prop-1-ene
CID 171834524
1-[[ethyl(heptyl)amino]methyl]-4-(sulfamoylamino)benzene;methane
CID 70411356
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449
methyl 4-[(4-aminophenyl)methyl-ethylamino]butanoate
CID 43383874
4-[3-(diethylamino)propyl]aniline
CID 10608385
N,N-dibenzyldodecan-1-amine
CID 11508874
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
4-[2-[hexyl(methyl)amino]ethyl]aniline
CID 89126369

Frequently Asked Questions

What is the IUPAC name of 4-[[decyl(ethyl)amino]methyl]aniline?
The IUPAC name of 4-[[decyl(ethyl)amino]methyl]aniline (CID 63532932) is 4-[[decyl(ethyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[decyl(ethyl)amino]methyl]aniline?
The canonical SMILES for 4-[[decyl(ethyl)amino]methyl]aniline is CCCCCCCCCCN(CC)Cc1ccc(N)cc1.
What is the InChIKey of 4-[[decyl(ethyl)amino]methyl]aniline?
The InChIKey is QQCHKMYQWNFXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-5-6-7-8-9-10-11-16-21(4-2)17-18-12-14-19(20)15-13-18/h12-15H,3-11,16-17,20H2,1-2H3.
What are the key properties of 4-[[decyl(ethyl)amino]methyl]aniline?
4-[[decyl(ethyl)amino]methyl]aniline has a molecular weight of 290.49 g/mol, XLogP of 5.23, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[decyl(ethyl)amino]methyl]aniline is sourced from PubChem (CID 63532932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).