N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine

C26H30N2O — CID 11696722

IUPACN,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccc(-c3ccccc3OCc3ccccc3)cc2)C1
InChIInChI=1S/C26H30N2O/c1-27(2)24-16-17-28(19-24)18-21-12-14-23(15-13-21)25-10-6-7-11-26(25)29-20-22-8-4-3-5-9-22/h3-15,24H,16-20H2,1-2H3
InChIKeyYOQRHTDRGVJACH-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.07
Rot. Bonds7

About N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine

N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 11696722) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID11696722
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC NameN,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccc(-c3ccccc3OCc3ccccc3)cc2)C1
InChIInChI=1S/C26H30N2O/c1-27(2)24-16-17-28(19-24)18-21-12-14-23(15-13-21)25-10-6-7-11-26(25)29-20-22-8-4-3-5-9-22/h3-15,24H,16-20H2,1-2H3
InChIKeyYOQRHTDRGVJACH-UHFFFAOYSA-N
XLogP5.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[[4-(2-phenylsulfanylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11545551
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031
N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77453260
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
CID 41095172
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77094318
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine (CID 11696722) is N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine is CN(C)C1CCN(Cc2ccc(-c3ccccc3OCc3ccccc3)cc2)C1.
What is the InChIKey of N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is YOQRHTDRGVJACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-27(2)24-16-17-28(19-24)18-21-12-14-23(15-13-21)25-10-6-7-11-26(25)29-20-22-8-4-3-5-9-22/h3-15,24H,16-20H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 386.54 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[4-(2-phenylmethoxyphenyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 11696722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).