1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine

C17H27NO — CID 61344981

IUPAC1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCC1CCCC1
InChIInChI=1S/C17H27NO/c1-4-18-14(3)16-11-13(2)9-10-17(16)19-12-15-7-5-6-8-15/h9-11,14-15,18H,4-8,12H2,1-3H3
InChIKeySCQOGINMRLZMHI-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.23
Rot. Bonds6

About 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine

1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine (PubChem CID 61344981) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
PubChem CID61344981
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCC1CCCC1
InChIInChI=1S/C17H27NO/c1-4-18-14(3)16-11-13(2)9-10-17(16)19-12-15-7-5-6-8-15/h9-11,14-15,18H,4-8,12H2,1-3H3
InChIKeySCQOGINMRLZMHI-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
2-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-ethylethanamine
CID 63505858
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
1-[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 116520773
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine
CID 64747468
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
2-cyclopropyl-1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 83154688
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]cyclopentan-1-ol
CID 60889044
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine (CID 61344981) is 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine is CCNC(C)c1cc(C)ccc1OCC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine?
The InChIKey is SCQOGINMRLZMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-14(3)16-11-13(2)9-10-17(16)19-12-15-7-5-6-8-15/h9-11,14-15,18H,4-8,12H2,1-3H3.
What are the key properties of 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine?
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 61344981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).