N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine

C14H23N3 — CID 55159520

IUPACN,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
SMILESCNCc1ccccc1N1CCC(N(C)C)C1
InChIInChI=1S/C14H23N3/c1-15-10-12-6-4-5-7-14(12)17-9-8-13(11-17)16(2)3/h4-7,13,15H,8-11H2,1-3H3
InChIKeyUKYNEMLZOAZZRG-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.55
Rot. Bonds4

About N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine

N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine (PubChem CID 55159520) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
PubChem CID55159520
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
SMILESCNCc1ccccc1N1CCC(N(C)C)C1
InChIInChI=1S/C14H23N3/c1-15-10-12-6-4-5-7-14(12)17-9-8-13(11-17)16(2)3/h4-7,13,15H,8-11H2,1-3H3
InChIKeyUKYNEMLZOAZZRG-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[2-(propylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63165160
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]-N-methylmethanamine
CID 43620591
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
CID 79677506
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
N,N-dimethyl-1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-3-amine
CID 63164894
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79935349
N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine
CID 79678809
(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol
CID 63372106
N-methyl-1-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43585498
1-[5-chloro-2-(ethylaminomethyl)phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 114851050
1-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 81247494

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine (CID 55159520) is N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine is CNCc1ccccc1N1CCC(N(C)C)C1.
What is the InChIKey of N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is UKYNEMLZOAZZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-15-10-12-6-4-5-7-14(12)17-9-8-13(11-17)16(2)3/h4-7,13,15H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 233.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 55159520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).