(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine

C18H28N2O — CID 99959391

IUPAC(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(Cc2cccc(OC3CCCC3)c2)C1
InChIInChI=1S/C18H28N2O/c1-19(2)16-10-11-20(14-16)13-15-6-5-9-18(12-15)21-17-7-3-4-8-17/h5-6,9,12,16-17H,3-4,7-8,10-11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyZQPDXZIAGUZDAW-INIZCTEOSA-N
MW288.43 g/mol
LogP3.14
Rot. Bonds5

About (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine

(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 99959391) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID99959391
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(Cc2cccc(OC3CCCC3)c2)C1
InChIInChI=1S/C18H28N2O/c1-19(2)16-10-11-20(14-16)13-15-6-5-9-18(12-15)21-17-7-3-4-8-17/h5-6,9,12,16-17H,3-4,7-8,10-11,13-14H2,1-2H3/t16-/m0/s1
InChIKeyZQPDXZIAGUZDAW-INIZCTEOSA-N
XLogP3.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 77081003
(3S)-1-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 99940725
1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77086173
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 154793860
(3-ethylphenoxy)cyclooctane
CID 91220327
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346524
3-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 77109655
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol
CID 74247164

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine (CID 99959391) is (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@H]1CCN(Cc2cccc(OC3CCCC3)c2)C1.
What is the InChIKey of (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ZQPDXZIAGUZDAW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-19(2)16-10-11-20(14-16)13-15-6-5-9-18(12-15)21-17-7-3-4-8-17/h5-6,9,12,16-17H,3-4,7-8,10-11,13-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 288.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 99959391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).