4-(4-chloronaphthalen-1-yl)oxyazepane

C16H18ClNO — CID 63904845

IUPAC4-(4-chloronaphthalen-1-yl)oxyazepane
SMILESClc1ccc(OC2CCCNCC2)c2ccccc12
InChIInChI=1S/C16H18ClNO/c17-15-7-8-16(14-6-2-1-5-13(14)15)19-12-4-3-10-18-11-9-12/h1-2,5-8,12,18H,3-4,9-11H2
InChIKeyADSVDHYSHGNSTN-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.01
Rot. Bonds2

About 4-(4-chloronaphthalen-1-yl)oxyazepane

4-(4-chloronaphthalen-1-yl)oxyazepane (PubChem CID 63904845) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)oxyazepane.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)oxyazepane
PubChem CID63904845
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-(4-chloronaphthalen-1-yl)oxyazepane
SMILESClc1ccc(OC2CCCNCC2)c2ccccc12
InChIInChI=1S/C16H18ClNO/c17-15-7-8-16(14-6-2-1-5-13(14)15)19-12-4-3-10-18-11-9-12/h1-2,5-8,12,18H,3-4,9-11H2
InChIKeyADSVDHYSHGNSTN-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine
CID 56830393
4-[2-(4-chloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 56830392
4-(4-chlorophenoxy)azepane
CID 63904264
3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
CID 56830677
(3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
CID 86322028
carbonic acid;4-(2-chlorophenoxy)piperidine
CID 23722971
4-(4-bromo-2-propan-2-ylphenoxy)azepane
CID 113303037
1-cyclopentyloxy-4-methylnaphthalene
CID 143504942
4-(2-fluoro-3-methylphenoxy)azepane
CID 107661448
4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride
CID 53409861
3-(2-chloro-4-phenylphenoxy)piperidine;hydrochloride
CID 56830793
4-(2-cyclopentyloxyphenyl)piperidine
CID 156722248

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloronaphthalen-1-yl)oxyazepane?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)oxyazepane (CID 63904845) is 4-(4-chloronaphthalen-1-yl)oxyazepane.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)oxyazepane?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)oxyazepane is Clc1ccc(OC2CCCNCC2)c2ccccc12.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)oxyazepane?
The InChIKey is ADSVDHYSHGNSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-15-7-8-16(14-6-2-1-5-13(14)15)19-12-4-3-10-18-11-9-12/h1-2,5-8,12,18H,3-4,9-11H2.
What are the key properties of 4-(4-chloronaphthalen-1-yl)oxyazepane?
4-(4-chloronaphthalen-1-yl)oxyazepane has a molecular weight of 275.78 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloronaphthalen-1-yl)oxyazepane is sourced from PubChem (CID 63904845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).