N-(3,3-dimethylcyclopentyl)-2-propoxyaniline

C16H25NO — CID 80705624

IUPACN-(3,3-dimethylcyclopentyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NC1CCC(C)(C)C1
InChIInChI=1S/C16H25NO/c1-4-11-18-15-8-6-5-7-14(15)17-13-9-10-16(2,3)12-13/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyPZFCSOUUXVPMLG-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.47
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-2-propoxyaniline

N-(3,3-dimethylcyclopentyl)-2-propoxyaniline (PubChem CID 80705624) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2-propoxyaniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2-propoxyaniline
PubChem CID80705624
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3,3-dimethylcyclopentyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NC1CCC(C)(C)C1
InChIInChI=1S/C16H25NO/c1-4-11-18-15-8-6-5-7-14(15)17-13-9-10-16(2,3)12-13/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyPZFCSOUUXVPMLG-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998703
N-(3,3-dimethylcyclopentyl)-2-(2-methylpropoxy)aniline
CID 80706319
N-cyclohexyl-2-propoxyaniline
CID 43682292
4-N-(2-propoxyphenyl)cyclohexane-1,4-diamine
CID 79724258
4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine
CID 114543414
(1R,4S)-1,3,3-trimethyl-N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 115400489
4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083053
2-bromo-N-(3,3-dimethylcyclopentyl)aniline
CID 80692148
4,4-dimethyl-N-(2-propoxyphenyl)thian-3-amine
CID 79948163
4,4-dimethyl-N-(2-propylphenyl)cycloheptan-1-amine
CID 65084187
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-(2-propoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63426599

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2-propoxyaniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2-propoxyaniline (CID 80705624) is N-(3,3-dimethylcyclopentyl)-2-propoxyaniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2-propoxyaniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2-propoxyaniline is CCCOc1ccccc1NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2-propoxyaniline?
The InChIKey is PZFCSOUUXVPMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-11-18-15-8-6-5-7-14(15)17-13-9-10-16(2,3)12-13/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-2-propoxyaniline?
N-(3,3-dimethylcyclopentyl)-2-propoxyaniline has a molecular weight of 247.38 g/mol, XLogP of 4.47, 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-propoxyaniline is sourced from PubChem (CID 80705624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).