N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline

C13H20N2 — CID 84672641

IUPACN-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline
SMILESCCc1cccc(N(C)CC2CNC2)c1
InChIInChI=1S/C13H20N2/c1-3-11-5-4-6-13(7-11)15(2)10-12-8-14-9-12/h4-7,12,14H,3,8-10H2,1-2H3
InChIKeyJJCKJFHGSDFRRT-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.90
Rot. Bonds4

About N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline

N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline (PubChem CID 84672641) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline
PubChem CID84672641
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline
SMILESCCc1cccc(N(C)CC2CNC2)c1
InChIInChI=1S/C13H20N2/c1-3-11-5-4-6-13(7-11)15(2)10-12-8-14-9-12/h4-7,12,14H,3,8-10H2,1-2H3
InChIKeyJJCKJFHGSDFRRT-UHFFFAOYSA-N
XLogP1.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-diethyl-N-methylaniline
CID 131018542
N-(azetidin-3-ylmethyl)-4-fluoro-N,3-dimethylaniline
CID 115207341
N-(azetidin-3-ylmethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115207340
4-[azetidin-3-ylmethyl(methyl)amino]phenol
CID 84664189
4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271680
N-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424
3-[(3-ethylphenoxy)methyl]azetidine
CID 70653754
N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
CID 115207468
methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate
CID 117028837
N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline
CID 116679881
4-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097
N-(azetidin-3-ylmethyl)-N-methyl-1,3-benzoxazol-6-amine
CID 115207431

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline (CID 84672641) is N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline is CCc1cccc(N(C)CC2CNC2)c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline?
The InChIKey is JJCKJFHGSDFRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-11-5-4-6-13(7-11)15(2)10-12-8-14-9-12/h4-7,12,14H,3,8-10H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline?
N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-3-ethyl-N-methylaniline is sourced from PubChem (CID 84672641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).