4-[[ethyl(pentan-2-yl)amino]methyl]aniline

C14H24N2 — CID 107891822

IUPAC4-[[ethyl(pentan-2-yl)amino]methyl]aniline
SMILESCCCC(C)N(CC)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-4-6-12(3)16(5-2)11-13-7-9-14(15)10-8-13/h7-10,12H,4-6,11,15H2,1-3H3
InChIKeyVZOMLEZMGGUSGT-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.28
Rot. Bonds6

About 4-[[ethyl(pentan-2-yl)amino]methyl]aniline

4-[[ethyl(pentan-2-yl)amino]methyl]aniline (PubChem CID 107891822) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[[ethyl(pentan-2-yl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[ethyl(pentan-2-yl)amino]methyl]aniline
PubChem CID107891822
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[[ethyl(pentan-2-yl)amino]methyl]aniline
SMILESCCCC(C)N(CC)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-4-6-12(3)16(5-2)11-13-7-9-14(15)10-8-13/h7-10,12H,4-6,11,15H2,1-3H3
InChIKeyVZOMLEZMGGUSGT-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[ethyl(pentan-2-yl)amino]methyl]aniline 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

4-[2-[benzyl(ethyl)amino]propyl]aniline
CID 82255967
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
2-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891825
2-[(4-aminophenyl)methyl-ethylamino]-N-butylpropanamide
CID 43458901
4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine
CID 107891860
2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide
CID 43383877
4-[[hexan-3-yl(methyl)amino]methyl]aniline
CID 143173998
4-[2-[ethyl(propan-2-yl)amino]ethyl]aniline
CID 43265922
2-[(4-aminophenyl)methyl-propylamino]propanamide
CID 43459613
4-[[2,2-difluoroethyl(propan-2-yl)amino]methyl]aniline
CID 60921385
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(pentan-2-yl)amino]methyl]aniline?
The IUPAC name of 4-[[ethyl(pentan-2-yl)amino]methyl]aniline (CID 107891822) is 4-[[ethyl(pentan-2-yl)amino]methyl]aniline.
What is the SMILES notation for 4-[[ethyl(pentan-2-yl)amino]methyl]aniline?
The canonical SMILES for 4-[[ethyl(pentan-2-yl)amino]methyl]aniline is CCCC(C)N(CC)Cc1ccc(N)cc1.
What is the InChIKey of 4-[[ethyl(pentan-2-yl)amino]methyl]aniline?
The InChIKey is VZOMLEZMGGUSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-12(3)16(5-2)11-13-7-9-14(15)10-8-13/h7-10,12H,4-6,11,15H2,1-3H3.
What are the key properties of 4-[[ethyl(pentan-2-yl)amino]methyl]aniline?
4-[[ethyl(pentan-2-yl)amino]methyl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(pentan-2-yl)amino]methyl]aniline is sourced from PubChem (CID 107891822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).