N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline

C17H27NO — CID 64501327

IUPACN-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NC1CCC(CC)C1
InChIInChI=1S/C17H27NO/c1-4-10-19-17-11-13(3)6-9-16(17)18-15-8-7-14(5-2)12-15/h6,9,11,14-15,18H,4-5,7-8,10,12H2,1-3H3
InChIKeyQRLWDSQBZOHYKK-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.77
Rot. Bonds6

About N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline

N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline (PubChem CID 64501327) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
PubChem CID64501327
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NC1CCC(CC)C1
InChIInChI=1S/C17H27NO/c1-4-10-19-17-11-13(3)6-9-16(17)18-15-8-7-14(5-2)12-15/h6,9,11,14-15,18H,4-5,7-8,10,12H2,1-3H3
InChIKeyQRLWDSQBZOHYKK-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline?
The IUPAC name of N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline (CID 64501327) is N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline.
What is the SMILES notation for N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline?
The canonical SMILES for N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline is CCCOc1cc(C)ccc1NC1CCC(CC)C1.
What is the InChIKey of N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline?
The InChIKey is QRLWDSQBZOHYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-10-19-17-11-13(3)6-9-16(17)18-15-8-7-14(5-2)12-15/h6,9,11,14-15,18H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline?
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline has a molecular weight of 261.41 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline is sourced from PubChem (CID 64501327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).