3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine

C16H20N2O — CID 110455032

IUPAC3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
SMILESCOc1ccc(N(C)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C16H20N2O/c1-17(2)14-6-5-7-15(12-14)18(3)13-8-10-16(19-4)11-9-13/h5-12H,1-4H3
InChIKeyJZYNNJAJHQFKNZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.53
Rot. Bonds4

About 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine

3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine (PubChem CID 110455032) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
PubChem CID110455032
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
SMILESCOc1ccc(N(C)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C16H20N2O/c1-17(2)14-6-5-7-15(12-14)18(3)13-8-10-16(19-4)11-9-13/h5-12H,1-4H3
InChIKeyJZYNNJAJHQFKNZ-UHFFFAOYSA-N
XLogP3.53
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
9-(4-methoxyphenyl)-N,N-dimethyl-9H-fluoren-3-amine
CID 139683494
4-[(6-methoxynaphthalen-2-yl)-methylamino]phenol
CID 14499224
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
CID 130402433
1-N-[2-(4-methoxyphenyl)propan-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82538265
1-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866355

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine (CID 110455032) is 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine is COc1ccc(N(C)c2cccc(N(C)C)c2)cc1.
What is the InChIKey of 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine?
The InChIKey is JZYNNJAJHQFKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17(2)14-6-5-7-15(12-14)18(3)13-8-10-16(19-4)11-9-13/h5-12H,1-4H3.
What are the key properties of 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine?
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 110455032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).