[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol

C16H23NO2 — CID 104524708

IUPAC[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
SMILESCC1COc2ccccc2C1(CO)NC1CCCC1
InChIInChI=1S/C16H23NO2/c1-12-10-19-15-9-5-4-8-14(15)16(12,11-18)17-13-6-2-3-7-13/h4-5,8-9,12-13,17-18H,2-3,6-7,10-11H2,1H3
InChIKeyJELPPDORENABMG-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.43
Rot. Bonds3

About [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol

[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol (PubChem CID 104524708) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
PubChem CID104524708
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
SMILESCC1COc2ccccc2C1(CO)NC1CCCC1
InChIInChI=1S/C16H23NO2/c1-12-10-19-15-9-5-4-8-14(15)16(12,11-18)17-13-6-2-3-7-13/h4-5,8-9,12-13,17-18H,2-3,6-7,10-11H2,1H3
InChIKeyJELPPDORENABMG-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524707
2-[4-(ethylamino)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 113422733
2-[3-methyl-4-(propylamino)-2,3-dihydrochromen-4-yl]acetic acid
CID 104524864
3-methyl-4-pyrrolidin-1-yl-2,3-dihydrochromene-4-carboxylic acid
CID 104524669
3-methyl-N-propylspiro[2,3-dihydrochromene-4,2'-oxane]-4'-amine
CID 104524773
[4-(1,4-diazepan-1-yl)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524696
methyl 2-[4-(aminomethyl)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 113422738
2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 104524932
4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636
ethyl 4-(cyclopentylamino)-2,3-dihydrochromene-4-carboxylate
CID 60997341
1'-cyclopentyl-3-methylspiro[2,3-dihydrochromene-4,5'-4H-imidazole]-2'-amine
CID 104524957
[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol
CID 61045098

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
The IUPAC name of [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol (CID 104524708) is [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol.
What is the SMILES notation for [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
The canonical SMILES for [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol is CC1COc2ccccc2C1(CO)NC1CCCC1.
What is the InChIKey of [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
The InChIKey is JELPPDORENABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-10-19-15-9-5-4-8-14(15)16(12,11-18)17-13-6-2-3-7-13/h4-5,8-9,12-13,17-18H,2-3,6-7,10-11H2,1H3.
What are the key properties of [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol has a molecular weight of 261.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol is sourced from PubChem (CID 104524708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).