N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine

C14H22N2 — CID 79678809

IUPACN-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine
SMILESCCCC1CN(c2ccccc2CNC)C1
InChIInChI=1S/C14H22N2/c1-3-6-12-10-16(11-12)14-8-5-4-7-13(14)9-15-2/h4-5,7-8,12,15H,3,6,9-11H2,1-2H3
InChIKeyYFCNMDVPTBCJOG-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.64
Rot. Bonds5

About N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine

N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine (PubChem CID 79678809) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine
PubChem CID79678809
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine
SMILESCCCC1CN(c2ccccc2CNC)C1
InChIInChI=1S/C14H22N2/c1-3-6-12-10-16(11-12)14-8-5-4-7-13(14)9-15-2/h4-5,7-8,12,15H,3,6,9-11H2,1-2H3
InChIKeyYFCNMDVPTBCJOG-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
CID 79677506
N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 55159520
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]-N-methylmethanamine
CID 43620591
1-[2-(3-propylazetidin-1-yl)phenyl]ethanol
CID 104549305
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
[2-(3-ethylazetidin-1-yl)phenyl]methanamine
CID 79676976
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-(4-propan-2-ylpiperazin-1-yl)phenyl]methanamine
CID 43585498
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
2-fluoro-6-(3-propylazetidin-1-yl)benzonitrile
CID 79687707
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058978
1-naphthalen-1-yl-3-propylpyrrolidine
CID 10376978

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine (CID 79678809) is N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine is CCCC1CN(c2ccccc2CNC)C1.
What is the InChIKey of N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine?
The InChIKey is YFCNMDVPTBCJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-6-12-10-16(11-12)14-8-5-4-7-13(14)9-15-2/h4-5,7-8,12,15H,3,6,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine?
N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-propylazetidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 79678809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).