2-[[ethyl(pentyl)amino]methyl]aniline

C14H24N2 — CID 43459376

IUPAC2-[[ethyl(pentyl)amino]methyl]aniline
SMILESCCCCCN(CC)Cc1ccccc1N
InChIInChI=1S/C14H24N2/c1-3-5-8-11-16(4-2)12-13-9-6-7-10-14(13)15/h6-7,9-10H,3-5,8,11-12,15H2,1-2H3
InChIKeyHBXOWEQGQPCXMK-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.28
Rot. Bonds7

About 2-[[ethyl(pentyl)amino]methyl]aniline

2-[[ethyl(pentyl)amino]methyl]aniline (PubChem CID 43459376) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[[ethyl(pentyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[ethyl(pentyl)amino]methyl]aniline
PubChem CID43459376
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[[ethyl(pentyl)amino]methyl]aniline
SMILESCCCCCN(CC)Cc1ccccc1N
InChIInChI=1S/C14H24N2/c1-3-5-8-11-16(4-2)12-13-9-6-7-10-14(13)15/h6-7,9-10H,3-5,8,11-12,15H2,1-2H3
InChIKeyHBXOWEQGQPCXMK-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373
6-[(2-aminophenyl)methyl-ethylamino]-2,2-dimethylhexanenitrile
CID 106712874
2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180360
2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid
CID 104824272
N-[(2-aminophenyl)methyl]-N-butylformamide
CID 89361806
2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline
CID 54961833
2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
CID 61490610
N-[(2-fluorophenyl)methyl]-N-heptyloctan-1-amine
CID 6425660
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pentyl)amino]methyl]aniline?
The IUPAC name of 2-[[ethyl(pentyl)amino]methyl]aniline (CID 43459376) is 2-[[ethyl(pentyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[ethyl(pentyl)amino]methyl]aniline?
The canonical SMILES for 2-[[ethyl(pentyl)amino]methyl]aniline is CCCCCN(CC)Cc1ccccc1N.
What is the InChIKey of 2-[[ethyl(pentyl)amino]methyl]aniline?
The InChIKey is HBXOWEQGQPCXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-8-11-16(4-2)12-13-9-6-7-10-14(13)15/h6-7,9-10H,3-5,8,11-12,15H2,1-2H3.
What are the key properties of 2-[[ethyl(pentyl)amino]methyl]aniline?
2-[[ethyl(pentyl)amino]methyl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pentyl)amino]methyl]aniline is sourced from PubChem (CID 43459376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).