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

C16H26N2 — CID 105346402

IUPACN-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(CN2CCCC2C)cc1
InChIInChI=1S/C16H26N2/c1-3-17-11-10-15-6-8-16(9-7-15)13-18-12-4-5-14(18)2/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeyQOOKPEDATNIXCU-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds6

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

N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine (PubChem CID 105346402) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
PubChem CID105346402
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(CN2CCCC2C)cc1
InChIInChI=1S/C16H26N2/c1-3-17-11-10-15-6-8-16(9-7-15)13-18-12-4-5-14(18)2/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeyQOOKPEDATNIXCU-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
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

2-methyl-N-[2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105346400
2-[4-[(2,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
CID 105347896
N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347840
methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
2-methyl-1-[(3-propylphenyl)methyl]pyrrolidine
CID 171523670
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059
N-ethyl-2-[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]ethanamine
CID 105346947
N-[2-(2-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 63468845
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylethanamine
CID 62576069
N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
N-[[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]methyl]ethanamine
CID 79933916

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine (CID 105346402) is N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine is CCNCCc1ccc(CN2CCCC2C)cc1.
What is the InChIKey of N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine?
The InChIKey is QOOKPEDATNIXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-17-11-10-15-6-8-16(9-7-15)13-18-12-4-5-14(18)2/h6-9,14,17H,3-5,10-13H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine?
N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 105346402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).