1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine

C21H29N3 — CID 113222195

IUPAC1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)Cc1ccccc1CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H29N3/c1-23(2)16-20-11-7-6-10-19(20)14-22-21-12-13-24(17-21)15-18-8-4-3-5-9-18/h3-11,21-22H,12-17H2,1-2H3
InChIKeyBSIGMEWIOXVACP-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.11
Rot. Bonds7

About 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine

1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine (PubChem CID 113222195) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
PubChem CID113222195
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)Cc1ccccc1CNC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C21H29N3/c1-23(2)16-20-11-7-6-10-19(20)14-22-21-12-13-24(17-21)15-18-8-4-3-5-9-18/h3-11,21-22H,12-17H2,1-2H3
InChIKeyBSIGMEWIOXVACP-UHFFFAOYSA-N
XLogP3.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 43089230
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine
CID 62975581
(3S)-1-benzyl-N-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 30034860
1-benzyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 55378502
1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
CID 43784616
1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167084
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
N-(1-benzylpyrrolidin-3-yl)-1-ethylpiperidin-4-amine
CID 43223634
2-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-N,N-dimethylethanesulfonamide
CID 95197428
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275
1-benzyl-N-(2-methylsulfanylethyl)pyrrolidin-3-amine
CID 60694335
1-benzyl-N-(2-cyclopropylpropyl)pyrrolidin-3-amine
CID 115662847

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine (CID 113222195) is 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine is CN(C)Cc1ccccc1CNC1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is BSIGMEWIOXVACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-23(2)16-20-11-7-6-10-19(20)14-22-21-12-13-24(17-21)15-18-8-4-3-5-9-18/h3-11,21-22H,12-17H2,1-2H3.
What are the key properties of 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine?
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 323.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 113222195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).