5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline

C16H24ClNO — CID 79860766

IUPAC5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NC1CCCC1(C)C
InChIInChI=1S/C16H24ClNO/c1-4-10-19-14-8-7-12(17)11-13(14)18-15-6-5-9-16(15,2)3/h7-8,11,15,18H,4-6,9-10H2,1-3H3
InChIKeyVRZHXKRECIFJHX-UHFFFAOYSA-N
MW281.83 g/mol
LogP5.12
Rot. Bonds5

About 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline

5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline (PubChem CID 79860766) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline
PubChem CID79860766
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline
SMILESCCCOc1ccc(Cl)cc1NC1CCCC1(C)C
InChIInChI=1S/C16H24ClNO/c1-4-10-19-14-8-7-12(17)11-13(14)18-15-6-5-9-16(15,2)3/h7-8,11,15,18H,4-6,9-10H2,1-3H3
InChIKeyVRZHXKRECIFJHX-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.83
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclohexyl-2-propoxyaniline
CID 63453197
5-chloro-N-(3-methylcyclohexyl)-2-propoxyaniline
CID 63452896
N-(5-chloro-2-propoxyphenyl)piperidin-4-amine
CID 54907041
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline
CID 79860269
5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline
CID 64853292
N-(5-chloro-2-ethoxyphenyl)cycloheptanamine
CID 55191401
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
5-chloro-N-hexan-3-yl-2-propoxyaniline
CID 114079555
2-(1-aminocyclobutyl)-N-(5-chloro-2-propoxyphenyl)acetamide
CID 79854161
4,4-dimethyl-N-(2-propoxyphenyl)thian-3-amine
CID 79948163

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline?
The IUPAC name of 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline (CID 79860766) is 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline?
The canonical SMILES for 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline is CCCOc1ccc(Cl)cc1NC1CCCC1(C)C.
What is the InChIKey of 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline?
The InChIKey is VRZHXKRECIFJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-4-10-19-14-8-7-12(17)11-13(14)18-15-6-5-9-16(15,2)3/h7-8,11,15,18H,4-6,9-10H2,1-3H3.
What are the key properties of 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline?
5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline has a molecular weight of 281.83 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline is sourced from PubChem (CID 79860766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).