3-N-[4-(methylamino)phenyl]benzene-1,3-diamine

C13H15N3 — CID 122513645

IUPAC3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
SMILESCNc1ccc(Nc2cccc(N)c2)cc1
InChIInChI=1S/C13H15N3/c1-15-11-5-7-12(8-6-11)16-13-4-2-3-10(14)9-13/h2-9,15-16H,14H2,1H3
InChIKeyUKUUOXNGTVCULD-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.05
Rot. Bonds3

About 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine

3-N-[4-(methylamino)phenyl]benzene-1,3-diamine (PubChem CID 122513645) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
PubChem CID122513645
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-N-[4-(methylamino)phenyl]benzene-1,3-diamine
SMILESCNc1ccc(Nc2cccc(N)c2)cc1
InChIInChI=1S/C13H15N3/c1-15-11-5-7-12(8-6-11)16-13-4-2-3-10(14)9-13/h2-9,15-16H,14H2,1H3
InChIKeyUKUUOXNGTVCULD-UHFFFAOYSA-N
XLogP3.05
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
3-N-[3-(dimethylamino)phenyl]benzene-1,3-diamine
CID 115376107
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
3-N-[4-(trifluoromethoxy)phenyl]benzene-1,3-diamine
CID 43245746
1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297487
3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
CID 43132798
1-N-methyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 117027255
5-(3-aminoanilino)-2-methylisoindole-1,3-dione
CID 43132787
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 143193149
4-N-(4-anilinophenyl)benzene-1,2,4-triamine
CID 57184309
1-N-methyl-3-N-pyridin-4-ylbenzene-1,3-diamine
CID 157042736

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine (CID 122513645) is 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine is CNc1ccc(Nc2cccc(N)c2)cc1.
What is the InChIKey of 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine?
The InChIKey is UKUUOXNGTVCULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-15-11-5-7-12(8-6-11)16-13-4-2-3-10(14)9-13/h2-9,15-16H,14H2,1H3.
What are the key properties of 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine?
3-N-[4-(methylamino)phenyl]benzene-1,3-diamine has a molecular weight of 213.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(methylamino)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 122513645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).