1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine

C17H27N3 — CID 63167084

IUPAC1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccccc2CNC2CC2)C1
InChIInChI=1S/C17H27N3/c1-19(2)17-9-10-20(13-17)12-15-6-4-3-5-14(15)11-18-16-7-8-16/h3-6,16-18H,7-13H2,1-2H3
InChIKeyQUTJHJMCKVBDDS-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.07
Rot. Bonds6

About 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine

1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63167084) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63167084
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccccc2CNC2CC2)C1
InChIInChI=1S/C17H27N3/c1-19(2)17-9-10-20(13-17)12-15-6-4-3-5-14(15)11-18-16-7-8-16/h3-6,16-18H,7-13H2,1-2H3
InChIKeyQUTJHJMCKVBDDS-UHFFFAOYSA-N
XLogP2.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]cyclopropanamine
CID 64583192
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 63620639
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
methyl 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoate
CID 82969270
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62439214
1-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167181
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 55158359
1-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 77094318
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62545615
(3S)-N-[(2-methoxyphenyl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 91547218

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 63167084) is 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(Cc2ccccc2CNC2CC2)C1.
What is the InChIKey of 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is QUTJHJMCKVBDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19(2)17-9-10-20(13-17)12-15-6-4-3-5-14(15)11-18-16-7-8-16/h3-6,16-18H,7-13H2,1-2H3.
What are the key properties of 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63167084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).