1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine

C17H22N2O — CID 78913927

IUPAC1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCCOc1ccccc1CNc1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O/c1-4-20-17-11-6-5-8-14(17)13-18-15-9-7-10-16(12-15)19(2)3/h5-12,18H,4,13H2,1-3H3
InChIKeySMKKJPLEQLIFFI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.76
Rot. Bonds6

About 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 78913927) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID78913927
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCCOc1ccccc1CNc1cccc(N(C)C)c1
InChIInChI=1S/C17H22N2O/c1-4-20-17-11-6-5-8-14(17)13-18-15-9-7-10-16(12-15)19(2)3/h5-12,18H,4,13H2,1-3H3
InChIKeySMKKJPLEQLIFFI-UHFFFAOYSA-N
XLogP3.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
1-N-[(2-fluorophenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 78913980
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
4-bromo-N-[(2-ethoxyphenyl)methyl]-3-methylaniline
CID 28546731
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
2-[[3-(dimethylamino)anilino]methyl]benzamide
CID 115377923
2-chloro-4-[(2-ethoxyphenyl)methylamino]phenol
CID 107678736
1-N-[(4-fluoro-2-methylphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376553
1-N-[2-(2-methoxyphenoxy)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115377842

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine (CID 78913927) is 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is CCOc1ccccc1CNc1cccc(N(C)C)c1.
What is the InChIKey of 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is SMKKJPLEQLIFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-20-17-11-6-5-8-14(17)13-18-15-9-7-10-16(12-15)19(2)3/h5-12,18H,4,13H2,1-3H3.
What are the key properties of 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-ethoxyphenyl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 78913927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).