7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride

C17H20ClN3 — CID 13339189

IUPAC7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride
SMILESCc1ccc(C2CN=C(N)Nc3ccc(C)cc32)cc1.Cl
InChIInChI=1S/C17H19N3.ClH/c1-11-3-6-13(7-4-11)15-10-19-17(18)20-16-8-5-12(2)9-14(15)16;/h3-9,15H,10H2,1-2H3,(H3,18,19,20);1H
InChIKeyGBBFTRIGYQEVGL-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.60
Rot. Bonds1

About 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride

7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride (PubChem CID 13339189) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride.

Molecular Properties

Compound Name7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride
PubChem CID13339189
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride
SMILESCc1ccc(C2CN=C(N)Nc3ccc(C)cc32)cc1.Cl
InChIInChI=1S/C17H19N3.ClH/c1-11-3-6-13(7-4-11)15-10-19-17(18)20-16-8-5-12(2)9-14(15)16;/h3-9,15H,10H2,1-2H3,(H3,18,19,20);1H
InChIKeyGBBFTRIGYQEVGL-UHFFFAOYSA-N
XLogP3.60
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7333
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1-(3,5-Dimetilfenil)3-(2-(trifluorometil)phenil)guanidina
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N,N'-Bis-(4-hexyl-phenyl)-guanidine
CID 9821194
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CID 10526122
N,N'-Bis-(4-isopropyl-phenyl)-guanidine
CID 13781937
N,N''-Bis(4-ethylphenyl)guanidine
CID 14771671
3,4-Dihydro-6-(isopropyl)-3-(4-(isopropyl)phenyl)quinazoline
CID 99600
1-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]phenyl]-2-propylguanidine;dihydrochloride
CID 162655408
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CID 10378304

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride?
The IUPAC name of 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride (CID 13339189) is 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride.
What is the SMILES notation for 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride?
The canonical SMILES for 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride is Cc1ccc(C2CN=C(N)Nc3ccc(C)cc32)cc1.Cl.
What is the InChIKey of 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride?
The InChIKey is GBBFTRIGYQEVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3.ClH/c1-11-3-6-13(7-4-11)15-10-19-17(18)20-16-8-5-12(2)9-14(15)16;/h3-9,15H,10H2,1-2H3,(H3,18,19,20);1H.
What are the key properties of 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride?
7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(4-methylphenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride is sourced from PubChem (CID 13339189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).