4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline

C16H25NO — CID 65045783

IUPAC4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NC1CCCC1C
InChIInChI=1S/C16H25NO/c1-4-10-18-16-11-12(2)8-9-15(16)17-14-7-5-6-13(14)3/h8-9,11,13-14,17H,4-7,10H2,1-3H3
InChIKeyPEUMCKJBPVYBCI-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.38
Rot. Bonds5

About 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline

4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline (PubChem CID 65045783) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline.

Molecular Properties

Compound Name4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
PubChem CID65045783
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NC1CCCC1C
InChIInChI=1S/C16H25NO/c1-4-10-18-16-11-12(2)8-9-15(16)17-14-7-5-6-13(14)3/h8-9,11,13-14,17H,4-7,10H2,1-3H3
InChIKeyPEUMCKJBPVYBCI-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 63453168
N-(3,5-dimethylcyclohexyl)-4-methyl-2-propoxyaniline
CID 64753195
4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083053
4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
CID 63592295
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
CID 103561671
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
CID 64501327
3-methyl-N-(4-methyl-2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 102778369
1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
CID 60935911
1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine
CID 62981319
N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
CID 64760687
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline?
The IUPAC name of 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline (CID 65045783) is 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline.
What is the SMILES notation for 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline?
The canonical SMILES for 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline is CCCOc1cc(C)ccc1NC1CCCC1C.
What is the InChIKey of 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline?
The InChIKey is PEUMCKJBPVYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-10-18-16-11-12(2)8-9-15(16)17-14-7-5-6-13(14)3/h8-9,11,13-14,17H,4-7,10H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline?
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline has a molecular weight of 247.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline is sourced from PubChem (CID 65045783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).