1-(2-propylphenyl)diazepine

C14H16N2 — CID 155692954

IUPAC1-(2-propylphenyl)diazepine
SMILESCCCc1ccccc1N1C=CC=CC=N1
InChIInChI=1S/C14H16N2/c1-2-8-13-9-4-5-10-14(13)16-12-7-3-6-11-15-16/h3-7,9-12H,2,8H2,1H3
InChIKeyUNKKSBVVJGXKRU-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.51
Rot. Bonds3

About 1-(2-propylphenyl)diazepine

1-(2-propylphenyl)diazepine (PubChem CID 155692954) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(2-propylphenyl)diazepine.

Molecular Properties

Compound Name1-(2-propylphenyl)diazepine
PubChem CID155692954
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-(2-propylphenyl)diazepine
SMILESCCCc1ccccc1N1C=CC=CC=N1
InChIInChI=1S/C14H16N2/c1-2-8-13-9-4-5-10-14(13)16-12-7-3-6-11-15-16/h3-7,9-12H,2,8H2,1H3
InChIKeyUNKKSBVVJGXKRU-UHFFFAOYSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylphenolate;zirconium(2+);chloride
CID 22137017
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052
3-tert-butyl-5-chloro-4-(2-propylphenyl)-1,2,4-triazole
CID 63389588
5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole
CID 167209854
N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
CID 55108923
2-(chloromethyl)-6-methyl-3-(2-propylphenyl)imidazo[4,5-b]pyridine
CID 79279663
1-prop-2-enyl-2-propylbenzene
CID 12585186
3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione
CID 60975787
5-pentoxy-1-(2-propylphenyl)tetrazole
CID 90685701
N-ethyl-1-(2-propylphenyl)piperidin-4-amine
CID 54963841
1-(2-bromoethyl)-2-propylbenzene
CID 70218831
1-but-2-enyl-2-propylbenzene
CID 139617865

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylphenyl)diazepine?
The IUPAC name of 1-(2-propylphenyl)diazepine (CID 155692954) is 1-(2-propylphenyl)diazepine.
What is the SMILES notation for 1-(2-propylphenyl)diazepine?
The canonical SMILES for 1-(2-propylphenyl)diazepine is CCCc1ccccc1N1C=CC=CC=N1.
What is the InChIKey of 1-(2-propylphenyl)diazepine?
The InChIKey is UNKKSBVVJGXKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-8-13-9-4-5-10-14(13)16-12-7-3-6-11-15-16/h3-7,9-12H,2,8H2,1H3.
What are the key properties of 1-(2-propylphenyl)diazepine?
1-(2-propylphenyl)diazepine has a molecular weight of 212.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylphenyl)diazepine is sourced from PubChem (CID 155692954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).