N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline

C17H27NO — CID 80706319

IUPACN-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccccc1NC1CCC(C)(C)C1
InChIInChI=1S/C17H27NO/c1-13(2)12-19-16-8-6-5-7-15(16)18-14-9-10-17(3,4)11-14/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyBRFPKZQEZLSTCJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.71
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline

N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline (PubChem CID 80706319) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
PubChem CID80706319
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
SMILESCC(C)COc1ccccc1NC1CCC(C)(C)C1
InChIInChI=1S/C17H27NO/c1-13(2)12-19-16-8-6-5-7-15(16)18-14-9-10-17(3,4)11-14/h5-8,13-14,18H,9-12H2,1-4H3
InChIKeyBRFPKZQEZLSTCJ-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-2-propoxyaniline
CID 80705624
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
N-(3-methylcyclohexyl)-2-(2-methylpropoxy)aniline
CID 63453489
1-ethyl-N-[2-(2-methylpropoxy)phenyl]piperidin-4-amine
CID 60934851
2-bromo-N-(3,3-dimethylcyclopentyl)aniline
CID 80692148
N-(dicyclopropylmethyl)-2-(2-methylpropoxy)aniline
CID 54864889
2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998703
N-[2-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 63453271
N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 63453182
2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 80705108
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
N-(3,3-dimethylcyclopentyl)-3-fluoro-2-methylaniline
CID 80704928

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline (CID 80706319) is N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline is CC(C)COc1ccccc1NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline?
The InChIKey is BRFPKZQEZLSTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)12-19-16-8-6-5-7-15(16)18-14-9-10-17(3,4)11-14/h5-8,13-14,18H,9-12H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline?
N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline has a molecular weight of 261.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 80706319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).