1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine

C15H23NO2 — CID 61344621

IUPAC1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCC1CCCC1
InChIInChI=1S/C15H23NO2/c1-11(16)13-7-8-14(15(9-13)17-2)18-10-12-5-3-4-6-12/h7-9,11-12H,3-6,10,16H2,1-2H3
InChIKeyKCNJXMSNYWBOGN-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.28
Rot. Bonds5

About 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine

1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine (PubChem CID 61344621) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
PubChem CID61344621
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
SMILESCOc1cc(C(C)N)ccc1OCC1CCCC1
InChIInChI=1S/C15H23NO2/c1-11(16)13-7-8-14(15(9-13)17-2)18-10-12-5-3-4-6-12/h7-9,11-12H,3-6,10,16H2,1-2H3
InChIKeyKCNJXMSNYWBOGN-UHFFFAOYSA-N
XLogP3.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
1-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-3-cyclopentylpropan-2-ol
CID 103156690
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343381
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
1-[4-(cyclopropylmethoxy)-3-(difluoromethoxy)phenyl]ethanamine
CID 126963402
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104889481
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine?
The IUPAC name of 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine (CID 61344621) is 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine is COc1cc(C(C)N)ccc1OCC1CCCC1.
What is the InChIKey of 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine?
The InChIKey is KCNJXMSNYWBOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(16)13-7-8-14(15(9-13)17-2)18-10-12-5-3-4-6-12/h7-9,11-12H,3-6,10,16H2,1-2H3.
What are the key properties of 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine?
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 61344621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).