5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride

C15H15Cl2N3 — CID 13339181

IUPAC5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride
SMILESCl.NC1=NCC(c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C15H14ClN3.ClH/c16-11-7-5-10(6-8-11)13-9-18-15(17)19-14-4-2-1-3-12(13)14;/h1-8,13H,9H2,(H3,17,18,19);1H
InChIKeyHRAFRDIBYSTLHC-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.63
Rot. Bonds1

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

5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride (PubChem CID 13339181) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride
PubChem CID13339181
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride
SMILESCl.NC1=NCC(c2ccc(Cl)cc2)c2ccccc2N1
InChIInChI=1S/C15H14ClN3.ClH/c16-11-7-5-10(6-8-11)13-9-18-15(17)19-14-4-2-1-3-12(13)14;/h1-8,13H,9H2,(H3,17,18,19);1H
InChIKeyHRAFRDIBYSTLHC-UHFFFAOYSA-N
XLogP3.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3419611
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5-Chloro-1,4-dihydroquinazolin-2-amine
CID 13702393
5-Chloro-4-methyl-1,4-dihydroquinazolin-2-amine
CID 16006492
5-Chloro-4-ethyl-1,4-dihydroquinazolin-2-amine
CID 44455973
N-(4-chlorobenzyl)-N'-cyclohexyl-N''-phenylguanidine
CID 3773682
(4R)-5-chloro-4-methyl-1,4-dihydroquinazolin-2-amine
CID 44455962
(4S)-5-chloro-4-methyl-1,4-dihydroquinazolin-2-amine
CID 44456033
2-(2-Chloro-3-ethyl-5-methylphenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45262054
1-(3,5-Dichlorophenyl)-2-(3-ethylphenyl)guanidine;hydrochloride
CID 45262058
2-(4-Chlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45262068
2-(2,6-Dichlorophenyl)-1-(3-ethylphenyl)guanidine;hydrochloride
CID 45262069

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride (CID 13339181) is 5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride is Cl.NC1=NCC(c2ccc(Cl)cc2)c2ccccc2N1.
What is the InChIKey of 5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride?
The InChIKey is HRAFRDIBYSTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3.ClH/c16-11-7-5-10(6-8-11)13-9-18-15(17)19-14-4-2-1-3-12(13)14;/h1-8,13H,9H2,(H3,17,18,19);1H.
What are the key properties of 5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride?
5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride has a molecular weight of 308.21 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4,5-dihydro-1H-1,3-benzodiazepin-2-amine;hydrochloride is sourced from PubChem (CID 13339181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).