1-(3-chlorophenyl)azonane

C14H20ClN — CID 145391535

IUPAC1-(3-chlorophenyl)azonane
SMILESClc1cccc(N2CCCCCCCC2)c1
InChIInChI=1S/C14H20ClN/c15-13-8-7-9-14(12-13)16-10-5-3-1-2-4-6-11-16/h7-9,12H,1-6,10-11H2
InChIKeyIFBUTQSCUXRWII-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.50
Rot. Bonds1

About 1-(3-chlorophenyl)azonane

1-(3-chlorophenyl)azonane (PubChem CID 145391535) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)azonane.

Molecular Properties

Compound Name1-(3-chlorophenyl)azonane
PubChem CID145391535
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-(3-chlorophenyl)azonane
SMILESClc1cccc(N2CCCCCCCC2)c1
InChIInChI=1S/C14H20ClN/c15-13-8-7-9-14(12-13)16-10-5-3-1-2-4-6-11-16/h7-9,12H,1-6,10-11H2
InChIKeyIFBUTQSCUXRWII-UHFFFAOYSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
1-[1-(3-chlorophenyl)-5-methylpyrrol-3-yl]piperidine
CID 70283217
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
1-[3-(4-chlorophenyl)phenyl]pyrrolidine
CID 168512665
1-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958404
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
CID 174396621
3-piperidin-1-ylbenzenethiol
CID 13029856
3-(3-chlorophenyl)-5-piperidin-1-yl-4H-imidazol-2-one
CID 110167730
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
[5-(azepan-1-yl)pyrazin-2-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109286464

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)azonane?
The IUPAC name of 1-(3-chlorophenyl)azonane (CID 145391535) is 1-(3-chlorophenyl)azonane.
What is the SMILES notation for 1-(3-chlorophenyl)azonane?
The canonical SMILES for 1-(3-chlorophenyl)azonane is Clc1cccc(N2CCCCCCCC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)azonane?
The InChIKey is IFBUTQSCUXRWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c15-13-8-7-9-14(12-13)16-10-5-3-1-2-4-6-11-16/h7-9,12H,1-6,10-11H2.
What are the key properties of 1-(3-chlorophenyl)azonane?
1-(3-chlorophenyl)azonane has a molecular weight of 237.77 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)azonane is sourced from PubChem (CID 145391535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).