3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline

C15H22ClNO — CID 79860269

IUPAC3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline
SMILESCCOc1ccc(NC2CCCC2(C)C)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-4-18-13-8-7-11(10-12(13)16)17-14-6-5-9-15(14,2)3/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyFPPZBDTXKSNOOW-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.73
Rot. Bonds4

About 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline

3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline (PubChem CID 79860269) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline
PubChem CID79860269
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline
SMILESCCOc1ccc(NC2CCCC2(C)C)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-4-18-13-8-7-11(10-12(13)16)17-14-6-5-9-15(14,2)3/h7-8,10,14,17H,4-6,9H2,1-3H3
InChIKeyFPPZBDTXKSNOOW-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
CID 79860686
N-(3-chloro-4-ethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083347
N-(2,2-dimethylcyclohexyl)-3-ethoxy-4-nitroaniline
CID 79870902
3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine
CID 80738185
3-chloro-4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104860046
2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79859610
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
N-(3-chloro-4-ethoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853996
5-chloro-N-(2,2-dimethylcyclopentyl)-2-propoxyaniline
CID 79860766
N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
CID 79834976
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
3-bromo-N-(2,2-dimethylcyclopentyl)-4-(trifluoromethoxy)aniline
CID 107335998

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline?
The IUPAC name of 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline (CID 79860269) is 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline?
The canonical SMILES for 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline is CCOc1ccc(NC2CCCC2(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline?
The InChIKey is FPPZBDTXKSNOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-18-13-8-7-11(10-12(13)16)17-14-6-5-9-15(14,2)3/h7-8,10,14,17H,4-6,9H2,1-3H3.
What are the key properties of 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline?
3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline has a molecular weight of 267.80 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline is sourced from PubChem (CID 79860269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).