N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine

C18H30N2 — CID 105347945

IUPACN-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN2CC(C)C(C)C2)cc1
InChIInChI=1S/C18H30N2/c1-4-10-19-11-9-17-5-7-18(8-6-17)14-20-12-15(2)16(3)13-20/h5-8,15-16,19H,4,9-14H2,1-3H3
InChIKeyDNMBAGFECYODMA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.32
Rot. Bonds7

About N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine

N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine (PubChem CID 105347945) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
PubChem CID105347945
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc(CN2CC(C)C(C)C2)cc1
InChIInChI=1S/C18H30N2/c1-4-10-19-11-9-17-5-7-18(8-6-17)14-20-12-15(2)16(3)13-20/h5-8,15-16,19H,4,9-14H2,1-3H3
InChIKeyDNMBAGFECYODMA-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.32
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-[(3,4-dimethylpyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine (CID 105347945) is N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine is CCCNCCc1ccc(CN2CC(C)C(C)C2)cc1.
What is the InChIKey of N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
The InChIKey is DNMBAGFECYODMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-10-19-11-9-17-5-7-18(8-6-17)14-20-12-15(2)16(3)13-20/h5-8,15-16,19H,4,9-14H2,1-3H3.
What are the key properties of N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine?
N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 105347945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).