2-(aminomethyl)-5-phenylbenzene-1,3-diamine

C13H15N3 — CID 66970488

IUPAC2-(aminomethyl)-5-phenylbenzene-1,3-diamine
SMILESNCc1c(N)cc(-c2ccccc2)cc1N
InChIInChI=1S/C13H15N3/c14-8-11-12(15)6-10(7-13(11)16)9-4-2-1-3-5-9/h1-7H,8,14-16H2
InChIKeyPRLGIFCWEWIHBO-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.98
Rot. Bonds2

About 2-(aminomethyl)-5-phenylbenzene-1,3-diamine

2-(aminomethyl)-5-phenylbenzene-1,3-diamine (PubChem CID 66970488) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(aminomethyl)-5-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-5-phenylbenzene-1,3-diamine
PubChem CID66970488
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(aminomethyl)-5-phenylbenzene-1,3-diamine
SMILESNCc1c(N)cc(-c2ccccc2)cc1N
InChIInChI=1S/C13H15N3/c14-8-11-12(15)6-10(7-13(11)16)9-4-2-1-3-5-9/h1-7H,8,14-16H2
InChIKeyPRLGIFCWEWIHBO-UHFFFAOYSA-N
XLogP1.98
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)benzene-1,3-diamine
CID 18451650
(2,6-diphenylphenyl)methanamine
CID 72713892
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
4-phenylbenzene-1,2-diamine;dihydrochloride
CID 53439687
3-methyl-5-phenylbenzene-1,2-diamine
CID 67211058
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
benzene;tris(1,1'-biphenyl)
CID 162155747
1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine
CID 174888350
1,4-diphenylbenzene;ethane;methanamine
CID 168951795
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-phenylbenzene-1,3-diamine?
The IUPAC name of 2-(aminomethyl)-5-phenylbenzene-1,3-diamine (CID 66970488) is 2-(aminomethyl)-5-phenylbenzene-1,3-diamine.
What is the SMILES notation for 2-(aminomethyl)-5-phenylbenzene-1,3-diamine?
The canonical SMILES for 2-(aminomethyl)-5-phenylbenzene-1,3-diamine is NCc1c(N)cc(-c2ccccc2)cc1N.
What is the InChIKey of 2-(aminomethyl)-5-phenylbenzene-1,3-diamine?
The InChIKey is PRLGIFCWEWIHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-8-11-12(15)6-10(7-13(11)16)9-4-2-1-3-5-9/h1-7H,8,14-16H2.
What are the key properties of 2-(aminomethyl)-5-phenylbenzene-1,3-diamine?
2-(aminomethyl)-5-phenylbenzene-1,3-diamine has a molecular weight of 213.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-phenylbenzene-1,3-diamine is sourced from PubChem (CID 66970488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).