N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine

C14H22N2 — CID 2760015

IUPACN-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-15-14(13-7-3-2-4-8-13)9-12-16-10-5-6-11-16/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyGYTHKSBOTQAYRU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.43
Rot. Bonds5

About N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine

N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 2760015) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID2760015
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCNC(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-15-14(13-7-3-2-4-8-13)9-12-16-10-5-6-11-16/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyGYTHKSBOTQAYRU-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine (CID 2760015) is N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine is CNC(CCN1CCCC1)c1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is GYTHKSBOTQAYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-15-14(13-7-3-2-4-8-13)9-12-16-10-5-6-11-16/h2-4,7-8,14-15H,5-6,9-12H2,1H3.
What are the key properties of N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine?
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 2760015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).