3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine

C18H29NO — CID 63506516

IUPAC3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
SMILESCCOc1ccc(C)cc1C(CCC1CCCC1)NC
InChIInChI=1S/C18H29NO/c1-4-20-18-12-9-14(2)13-16(18)17(19-3)11-10-15-7-5-6-8-15/h9,12-13,15,17,19H,4-8,10-11H2,1-3H3
InChIKeyDTQMRFNEMPTDRY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.62
Rot. Bonds7

About 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine

3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine (PubChem CID 63506516) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
PubChem CID63506516
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
SMILESCCOc1ccc(C)cc1C(CCC1CCCC1)NC
InChIInChI=1S/C18H29NO/c1-4-20-18-12-9-14(2)13-16(18)17(19-3)11-10-15-7-5-6-8-15/h9,12-13,15,17,19H,4-8,10-11H2,1-3H3
InChIKeyDTQMRFNEMPTDRY-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-(2-ethoxy-5-methylphenyl)propan-1-ol
CID 63427299
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
CID 43482676
1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 55056937
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 43480073
3-cyclopropyl-1-(2-methoxy-4-methylphenyl)-N-methylpropan-1-amine
CID 106791881
3-cyclopentyl-N-methyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990513
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63505367
2-[chloro(cyclopentyl)methyl]-1-ethoxy-4-methylbenzene
CID 63447510
[3-cyclohexyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105304395

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine (CID 63506516) is 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine is CCOc1ccc(C)cc1C(CCC1CCCC1)NC.
What is the InChIKey of 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is DTQMRFNEMPTDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-20-18-12-9-14(2)13-16(18)17(19-3)11-10-15-7-5-6-8-15/h9,12-13,15,17,19H,4-8,10-11H2,1-3H3.
What are the key properties of 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine?
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 63506516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).