N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine

C19H32N2 — CID 114597126

IUPACN-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN1CC(C)CC(C)C1C
InChIInChI=1S/C19H32N2/c1-5-20-11-10-18-8-6-7-9-19(18)14-21-13-15(2)12-16(3)17(21)4/h6-9,15-17,20H,5,10-14H2,1-4H3
InChIKeyQBVIJVPKIYYIHV-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.70
Rot. Bonds6

About N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine

N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine (PubChem CID 114597126) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
PubChem CID114597126
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN1CC(C)CC(C)C1C
InChIInChI=1S/C19H32N2/c1-5-20-11-10-18-8-6-7-9-19(18)14-21-13-15(2)12-16(3)17(21)4/h6-9,15-17,20H,5,10-14H2,1-4H3
InChIKeyQBVIJVPKIYYIHV-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine 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

2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine
CID 115463396
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 114593285
N-[[5-[(2,3,5-trimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557570
2-fluoro-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzonitrile
CID 103275030
2-methyl-N-[[3-[(2,3,5-trimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 114597119
N-[[2-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 79184325
5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114593803
2-methyl-N-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]aniline
CID 114597196
N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464650
N-methyl-1-[6-[(2,3,5-trimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907232
4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 103275846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine (CID 114597126) is N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine is CCNCCc1ccccc1CN1CC(C)CC(C)C1C.
What is the InChIKey of N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine?
The InChIKey is QBVIJVPKIYYIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-20-11-10-18-8-6-7-9-19(18)14-21-13-15(2)12-16(3)17(21)4/h6-9,15-17,20H,5,10-14H2,1-4H3.
What are the key properties of N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine?
N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine has a molecular weight of 288.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 114597126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).