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

C14H16N2O — CID 117027159

IUPAC3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
SMILESCNc1cccc(Nc2ccc(OC)cc2)c1
InChIInChI=1S/C14H16N2O/c1-15-12-4-3-5-13(10-12)16-11-6-8-14(17-2)9-7-11/h3-10,15-16H,1-2H3
InChIKeyJZHVKJGWHJMSEI-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.48
Rot. Bonds4

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

3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine (PubChem CID 117027159) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
PubChem CID117027159
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
SMILESCNc1cccc(Nc2ccc(OC)cc2)c1
InChIInChI=1S/C14H16N2O/c1-15-12-4-3-5-13(10-12)16-11-6-8-14(17-2)9-7-11/h3-10,15-16H,1-2H3
InChIKeyJZHVKJGWHJMSEI-UHFFFAOYSA-N
XLogP3.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027164
3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
3-(4-methoxyanilino)phenol
CID 15574559
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
3,4,5-trifluoro-N-(4-methoxyphenyl)aniline
CID 52951070
2-[3-(4-methoxyanilino)phenyl]acetic acid
CID 155289963
3-[(4-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116951951
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine (CID 117027159) is 3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine is CNc1cccc(Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine?
The InChIKey is JZHVKJGWHJMSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-15-12-4-3-5-13(10-12)16-11-6-8-14(17-2)9-7-11/h3-10,15-16H,1-2H3.
What are the key properties of 3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine?
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine has a molecular weight of 228.29 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 117027159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).