N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline

C17H19NO2 — CID 116926122

IUPACN-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline
SMILESCNc1ccc(Cc2cc3c(cc2C)OCCO3)cc1
InChIInChI=1S/C17H19NO2/c1-12-9-16-17(20-8-7-19-16)11-14(12)10-13-3-5-15(18-2)6-4-13/h3-6,9,11,18H,7-8,10H2,1-2H3
InChIKeyYGDMLAHKICVZKM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.40
Rot. Bonds3

About N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline

N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline (PubChem CID 116926122) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline
PubChem CID116926122
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline
SMILESCNc1ccc(Cc2cc3c(cc2C)OCCO3)cc1
InChIInChI=1S/C17H19NO2/c1-12-9-16-17(20-8-7-19-16)11-14(12)10-13-3-5-15(18-2)6-4-13/h3-6,9,11,18H,7-8,10H2,1-2H3
InChIKeyYGDMLAHKICVZKM-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline
CID 116925789
4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
CID 116926125
ethyl N-[4-[(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]phenyl]carbamate
CID 153328064
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
CID 82480683
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
N-(4-fluorophenyl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770195
6-(2-chloroethyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 82470956
N-methoxy-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117298672
N-(methoxymethyl)-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 115258553
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]acetonitrile
CID 115131005
2-(4-fluorophenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789847
6-(3-chloropropyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 116926663

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline?
The IUPAC name of N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline (CID 116926122) is N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline.
What is the SMILES notation for N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline?
The canonical SMILES for N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline is CNc1ccc(Cc2cc3c(cc2C)OCCO3)cc1.
What is the InChIKey of N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline?
The InChIKey is YGDMLAHKICVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-9-16-17(20-8-7-19-16)11-14(12)10-13-3-5-15(18-2)6-4-13/h3-6,9,11,18H,7-8,10H2,1-2H3.
What are the key properties of N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline?
N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline has a molecular weight of 269.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]aniline is sourced from PubChem (CID 116926122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).