1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine

C18H19N — CID 50905891

IUPAC1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine
SMILESC[C@H](c1ccc2ccccc2c1)N1CC=CC=CC1
InChIInChI=1S/C18H19N/c1-15(19-12-6-2-3-7-13-19)17-11-10-16-8-4-5-9-18(16)14-17/h2-11,14-15H,12-13H2,1H3/t15-/m1/s1
InChIKeyJLSJUEGMDHXUIE-OAHLLOKOSA-N
MW249.36 g/mol
LogP4.33
Rot. Bonds2

About 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine

1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine (PubChem CID 50905891) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine.

Molecular Properties

Compound Name1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine
PubChem CID50905891
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine
SMILESC[C@H](c1ccc2ccccc2c1)N1CC=CC=CC1
InChIInChI=1S/C18H19N/c1-15(19-12-6-2-3-7-13-19)17-11-10-16-8-4-5-9-18(16)14-17/h2-11,14-15H,12-13H2,1H3/t15-/m1/s1
InChIKeyJLSJUEGMDHXUIE-OAHLLOKOSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-(1-naphthalen-2-ylethyl)piperidin-4-amine;hydrochloride
CID 119907327
1-(1-naphthalen-2-ylethyl)-1,4-diazepane
CID 61058086
ethane;2-propan-2-ylnaphthalene
CID 142226111
1-(1-naphthalen-2-ylethyl)piperidine-4-carboxylic acid
CID 65054272
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301
3-(1-naphthalen-2-ylethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81495302
2-propan-2-ylpentacene
CID 153380535
dimethyl 1-[(1R)-1-naphthalen-2-ylethyl]piperidine-4,4-dicarboxylate
CID 46854256
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809
[4-methyl-1-(1-naphthalen-2-ylethyl)piperidin-3-yl]methanamine
CID 114959925
1-naphthalen-2-ylethanamine
CID 3857145

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine?
The IUPAC name of 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine (CID 50905891) is 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine.
What is the SMILES notation for 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine?
The canonical SMILES for 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine is C[C@H](c1ccc2ccccc2c1)N1CC=CC=CC1.
What is the InChIKey of 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine?
The InChIKey is JLSJUEGMDHXUIE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N/c1-15(19-12-6-2-3-7-13-19)17-11-10-16-8-4-5-9-18(16)14-17/h2-11,14-15H,12-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine?
1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine has a molecular weight of 249.36 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-naphthalen-2-ylethyl]-2,7-dihydroazepine is sourced from PubChem (CID 50905891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).