N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine

C18H31N3 — CID 105347684

IUPACN-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(CN(C)CC2CCN(C)C2)cc1
InChIInChI=1S/C18H31N3/c1-4-19-11-9-16-5-7-17(8-6-16)13-21(3)15-18-10-12-20(2)14-18/h5-8,18-19H,4,9-15H2,1-3H3
InChIKeyHGNPDPKIYIPUII-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.22
Rot. Bonds8

About N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine

N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine (PubChem CID 105347684) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
PubChem CID105347684
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(CN(C)CC2CCN(C)C2)cc1
InChIInChI=1S/C18H31N3/c1-4-19-11-9-16-5-7-17(8-6-16)13-21(3)15-18-10-12-20(2)14-18/h5-8,18-19H,4,9-15H2,1-3H3
InChIKeyHGNPDPKIYIPUII-UHFFFAOYSA-N
XLogP2.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.22
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

2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
CID 105347717
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
N-[2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347152
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115213242
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
1-(1-ethylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 166673507
2-methoxy-5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 63272706
N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine
CID 155200692
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N-[2-[4-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347771
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 62656306
5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 63274318

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine (CID 105347684) is N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine is CCNCCc1ccc(CN(C)CC2CCN(C)C2)cc1.
What is the InChIKey of N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine?
The InChIKey is HGNPDPKIYIPUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-19-11-9-16-5-7-17(8-6-16)13-21(3)15-18-10-12-20(2)14-18/h5-8,18-19H,4,9-15H2,1-3H3.
What are the key properties of N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine?
N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine has a molecular weight of 289.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 105347684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).