N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine

C19H32N2 — CID 105348207

IUPACN-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN2C(C)CCC2CC)cc1
InChIInChI=1S/C19H32N2/c1-4-13-20-14-12-17-7-9-18(10-8-17)15-21-16(3)6-11-19(21)5-2/h7-10,16,19-20H,4-6,11-15H2,1-3H3
InChIKeyGVDRCGUAQZBNLX-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.99
Rot. Bonds8

About N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine

N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine (PubChem CID 105348207) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
PubChem CID105348207
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN2C(C)CCC2CC)cc1
InChIInChI=1S/C19H32N2/c1-4-13-20-14-12-17-7-9-18(10-8-17)15-21-16(3)6-11-19(21)5-2/h7-10,16,19-20H,4-6,11-15H2,1-3H3
InChIKeyGVDRCGUAQZBNLX-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine 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

1-[(4-bromophenyl)methyl]-2-ethyl-5-methylpyrrolidine
CID 83220677
N-[[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220620
N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347945
2-[4-[(2,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
CID 105347896
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 83219356
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
N-[2-[4-[(3-propylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105348275
N-[2-[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347604
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
N-ethyl-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]ethanamine
CID 105346402

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine (CID 105348207) is N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine is CCCNCCc1ccc(CN2C(C)CCC2CC)cc1.
What is the InChIKey of N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is GVDRCGUAQZBNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-13-20-14-12-17-7-9-18(10-8-17)15-21-16(3)6-11-19(21)5-2/h7-10,16,19-20H,4-6,11-15H2,1-3H3.
What are the key properties of N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105348207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).