N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline

C14H22N2O2 — CID 115207406

IUPACN-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
SMILESCOc1cc(N(C)CC2CNC2)c(OC)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-5-14(18-4)12(6-13(10)17-3)16(2)9-11-7-15-8-11/h5-6,11,15H,7-9H2,1-4H3
InChIKeyNGKBZUUNJOBDLS-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.67
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline

N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline (PubChem CID 115207406) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
PubChem CID115207406
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
SMILESCOc1cc(N(C)CC2CNC2)c(OC)cc1C
InChIInChI=1S/C14H22N2O2/c1-10-5-14(18-4)12(6-13(10)17-3)16(2)9-11-7-15-8-11/h5-6,11,15H,7-9H2,1-4H3
InChIKeyNGKBZUUNJOBDLS-UHFFFAOYSA-N
XLogP1.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115207906
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731
N-(azetidin-3-ylmethyl)-N,7-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115207411
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-methylazetidin-3-amine
CID 117040677
2-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221393
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
CID 115217502
azetidin-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116583756
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
N-(azetidin-3-ylmethyl)-6-methoxy-N-methylnaphthalen-2-amine
CID 115207468
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline (CID 115207406) is N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline is COc1cc(N(C)CC2CNC2)c(OC)cc1C.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline?
The InChIKey is NGKBZUUNJOBDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-14(18-4)12(6-13(10)17-3)16(2)9-11-7-15-8-11/h5-6,11,15H,7-9H2,1-4H3.
What are the key properties of N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline?
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline has a molecular weight of 250.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline is sourced from PubChem (CID 115207406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).