(3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine

C19H28N4O — CID 99940725

IUPAC(3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(Cc2cccc(OCCCn3ccnc3)c2)C1
InChIInChI=1S/C19H28N4O/c1-21(2)18-7-10-23(15-18)14-17-5-3-6-19(13-17)24-12-4-9-22-11-8-20-16-22/h3,5-6,8,11,13,16,18H,4,7,9-10,12,14-15H2,1-2H3/t18-/m0/s1
InChIKeySMNJITBHMDAZSL-SFHVURJKSA-N
MW328.46 g/mol
LogP2.49
Rot. Bonds8

About (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine

(3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 99940725) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID99940725
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(Cc2cccc(OCCCn3ccnc3)c2)C1
InChIInChI=1S/C19H28N4O/c1-21(2)18-7-10-23(15-18)14-17-5-3-6-19(13-17)24-12-4-9-22-11-8-20-16-22/h3,5-6,8,11,13,16,18H,4,7,9-10,12,14-15H2,1-2H3/t18-/m0/s1
InChIKeySMNJITBHMDAZSL-SFHVURJKSA-N
XLogP2.49
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-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

(1S,5R)-6-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane
CID 77086416
(3aR,5R,6R,7aS)-2-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-6-pyrazol-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172671919
9-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138386062
(3R,4R)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 155917671
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
9-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138381264
(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 99959391
(3aR,5R,6R,7aS)-2-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-6-(pyrazin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172666144
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
4-[(3-chlorophenoxy)methyl]-1-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-methoxypiperidine
CID 129453505
3-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]benzonitrile
CID 63164400

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 99940725) is (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@H]1CCN(Cc2cccc(OCCCn3ccnc3)c2)C1.
What is the InChIKey of (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is SMNJITBHMDAZSL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N4O/c1-21(2)18-7-10-23(15-18)14-17-5-3-6-19(13-17)24-12-4-9-22-11-8-20-16-22/h3,5-6,8,11,13,16,18H,4,7,9-10,12,14-15H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 328.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 99940725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).