2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol

C17H27NO2 — CID 82313718

IUPAC2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol
SMILESCCC(NC1CCCC1)C(O)c1cc(C)ccc1OC
InChIInChI=1S/C17H27NO2/c1-4-15(18-13-7-5-6-8-13)17(19)14-11-12(2)9-10-16(14)20-3/h9-11,13,15,17-19H,4-8H2,1-3H3
InChIKeyXMYLBBPWEZPTRX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.35
Rot. Bonds6

About 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol

2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol (PubChem CID 82313718) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol
PubChem CID82313718
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol
SMILESCCC(NC1CCCC1)C(O)c1cc(C)ccc1OC
InChIInChI=1S/C17H27NO2/c1-4-15(18-13-7-5-6-8-13)17(19)14-11-12(2)9-10-16(14)20-3/h9-11,13,15,17-19H,4-8H2,1-3H3
InChIKeyXMYLBBPWEZPTRX-UHFFFAOYSA-N
XLogP3.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313684
1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
CID 103459031
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
[4-[2-(cyclopentylamino)-1-hydroxybutyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 13080825
2-(cyclopropylamino)-1-(2-ethoxy-5-methylphenyl)-3-methylbutan-1-ol
CID 82315219
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
[4-[2-(cyclopentylamino)-1-hydroxybutyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;hydrochloride
CID 70552294
2-(cyclohexylamino)-1-(3-methoxyphenyl)butan-1-ol
CID 82314292
2-cyclopentyl-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82933827
1-(2-ethoxy-5-methylphenyl)-2-(propylamino)butan-1-ol
CID 82315202
2-(butan-2-ylamino)-1-(2-methoxy-5-methylphenyl)-3-methylbutan-1-ol
CID 82313727
2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79018516

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol?
The IUPAC name of 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol (CID 82313718) is 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol?
The canonical SMILES for 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol is CCC(NC1CCCC1)C(O)c1cc(C)ccc1OC.
What is the InChIKey of 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol?
The InChIKey is XMYLBBPWEZPTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-15(18-13-7-5-6-8-13)17(19)14-11-12(2)9-10-16(14)20-3/h9-11,13,15,17-19H,4-8H2,1-3H3.
What are the key properties of 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol?
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol is sourced from PubChem (CID 82313718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).