N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine

C18H31N3 — CID 115464062

IUPACN-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN(C)CCN1CCCC1
InChIInChI=1S/C18H31N3/c1-3-19-11-10-17-8-4-5-9-18(17)16-20(2)14-15-21-12-6-7-13-21/h4-5,8-9,19H,3,6-7,10-16H2,1-2H3
InChIKeyQPKUVUXKEVIZMX-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.37
Rot. Bonds9

About N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine

N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine (PubChem CID 115464062) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
PubChem CID115464062
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN(C)CCN1CCCC1
InChIInChI=1S/C18H31N3/c1-3-19-11-10-17-8-4-5-9-18(17)16-20(2)14-15-21-12-6-7-13-21/h4-5,8-9,19H,3,6-7,10-16H2,1-2H3
InChIKeyQPKUVUXKEVIZMX-UHFFFAOYSA-N
XLogP2.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
N-ethyl-2-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 115464004
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 112616281
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine
CID 115463396
2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzoic acid
CID 104548782
N-ethyl-2-[2-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115463733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine (CID 115464062) is N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine is CCNCCc1ccccc1CN(C)CCN1CCCC1.
What is the InChIKey of N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine?
The InChIKey is QPKUVUXKEVIZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-19-11-10-17-8-4-5-9-18(17)16-20(2)14-15-21-12-6-7-13-21/h4-5,8-9,19H,3,6-7,10-16H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine?
N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 115464062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).