1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine

C16H27N3 — CID 62889171

IUPAC1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
SMILESCN(C)CC1CCCN1CC(N)Cc1ccccc1
InChIInChI=1S/C16H27N3/c1-18(2)13-16-9-6-10-19(16)12-15(17)11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13,17H2,1-2H3
InChIKeyUCBOTQCRNMCNRJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.58
Rot. Bonds6

About 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine (PubChem CID 62889171) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
PubChem CID62889171
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
SMILESCN(C)CC1CCCN1CC(N)Cc1ccccc1
InChIInChI=1S/C16H27N3/c1-18(2)13-16-9-6-10-19(16)12-15(17)11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13,17H2,1-2H3
InChIKeyUCBOTQCRNMCNRJ-UHFFFAOYSA-N
XLogP1.58
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-ethylpyrrolidin-1-yl)-3-phenylpropan-2-amine
CID 112736480
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butan-2-amine
CID 62886971
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 79318693
(2S)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-amine
CID 103934614
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
CID 64567719
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 79309506
1-[2-[(dimethylamino)methyl]piperidin-1-yl]propan-2-amine
CID 83831668
N-cyclopropyl-N-[[1-(2-hydroxy-3-phenylpropyl)pyrrolidin-2-yl]methyl]acetamide
CID 128968185
N-cyclopropyl-N-[[(2R)-1-[(2S)-2-hydroxy-3-phenylpropyl]pyrrolidin-2-yl]methyl]acetamide
CID 129478609
2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-methylpropanamide
CID 121226071
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(3,4-dimethylphenyl)ethanamine
CID 62886119

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine?
The IUPAC name of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine (CID 62889171) is 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine is CN(C)CC1CCCN1CC(N)Cc1ccccc1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine?
The InChIKey is UCBOTQCRNMCNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(2)13-16-9-6-10-19(16)12-15(17)11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13,17H2,1-2H3.
What are the key properties of 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine?
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine is sourced from PubChem (CID 62889171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).