2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine

C18H30N2 — CID 115463559

IUPAC2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
SMILESCCNCCc1ccccc1CN1CCCCCCC1
InChIInChI=1S/C18H30N2/c1-2-19-13-12-17-10-6-7-11-18(17)16-20-14-8-4-3-5-9-15-20/h6-7,10-11,19H,2-5,8-9,12-16H2,1H3
InChIKeyHFSPBYBZOOUQEW-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds6

About 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine

2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine (PubChem CID 115463559) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
PubChem CID115463559
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
SMILESCCNCCc1ccccc1CN1CCCCCCC1
InChIInChI=1S/C18H30N2/c1-2-19-13-12-17-10-6-7-11-18(17)16-20-14-8-4-3-5-9-15-20/h6-7,10-11,19H,2-5,8-9,12-16H2,1H3
InChIKeyHFSPBYBZOOUQEW-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
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-2-[2-(1,4-oxazepan-4-ylmethyl)phenyl]ethanamine
CID 115464034
2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine
CID 115463396
2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 115463424
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464062
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
CID 113314786
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
2-[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]-N-methylethanamine
CID 115463747
N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 114597126
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine?
The IUPAC name of 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine (CID 115463559) is 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine is CCNCCc1ccccc1CN1CCCCCCC1.
What is the InChIKey of 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine?
The InChIKey is HFSPBYBZOOUQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-19-13-12-17-10-6-7-11-18(17)16-20-14-8-4-3-5-9-15-20/h6-7,10-11,19H,2-5,8-9,12-16H2,1H3.
What are the key properties of 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine?
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 115463559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).