azane;1-butyl-2-chlorobenzene

C10H16ClN — CID 19011342

IUPACazane;1-butyl-2-chlorobenzene
SMILESCCCCc1ccccc1Cl.N
InChIInChI=1S/C10H13Cl.H3N/c1-2-3-6-9-7-4-5-8-10(9)11;/h4-5,7-8H,2-3,6H2,1H3;1H3
InChIKeyFYJKPCNAXSDCHW-UHFFFAOYSA-N
MW185.70 g/mol
LogP3.84
Rot. Bonds3

About azane;1-butyl-2-chlorobenzene

azane;1-butyl-2-chlorobenzene (PubChem CID 19011342) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is azane;1-butyl-2-chlorobenzene.

Molecular Properties

Compound Nameazane;1-butyl-2-chlorobenzene
PubChem CID19011342
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Nameazane;1-butyl-2-chlorobenzene
SMILESCCCCc1ccccc1Cl.N
InChIInChI=1S/C10H13Cl.H3N/c1-2-3-6-9-7-4-5-8-10(9)11;/h4-5,7-8H,2-3,6H2,1H3;1H3
InChIKeyFYJKPCNAXSDCHW-UHFFFAOYSA-N
XLogP3.84
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-butoxyethyl)-2-chlorobenzene
CID 91693275
CID 159940559
CID 159940559
1-butyl-2-chloro-3-ethylbenzene
CID 139904751
1-chloro-2-(13-chlorotridecyl)benzene
CID 141077015
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
1-(8-bromooctyl)-2-chlorobenzene
CID 18786455
1,3-dibutyl-2-phenylbenzene
CID 15421912
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
tributyl-[(2-chlorophenyl)methyl]phosphanium chloride
CID 21388934
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987

Frequently Asked Questions

What is the IUPAC name of azane;1-butyl-2-chlorobenzene?
The IUPAC name of azane;1-butyl-2-chlorobenzene (CID 19011342) is azane;1-butyl-2-chlorobenzene.
What is the SMILES notation for azane;1-butyl-2-chlorobenzene?
The canonical SMILES for azane;1-butyl-2-chlorobenzene is CCCCc1ccccc1Cl.N.
What is the InChIKey of azane;1-butyl-2-chlorobenzene?
The InChIKey is FYJKPCNAXSDCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.H3N/c1-2-3-6-9-7-4-5-8-10(9)11;/h4-5,7-8H,2-3,6H2,1H3;1H3.
What are the key properties of azane;1-butyl-2-chlorobenzene?
azane;1-butyl-2-chlorobenzene has a molecular weight of 185.70 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-butyl-2-chlorobenzene is sourced from PubChem (CID 19011342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).