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

C18H27NO2 — CID 104524707

IUPAC[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
SMILESCC1COc2ccccc2C1(CO)NC1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-14-12-21-17-11-7-6-10-16(17)18(14,13-20)19-15-8-4-2-3-5-9-15/h6-7,10-11,14-15,19-20H,2-5,8-9,12-13H2,1H3
InChIKeyNZSBZPSCJZLBPL-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.22
Rot. Bonds3

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

[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol (PubChem CID 104524707) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol.

Molecular Properties

Compound Name[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
PubChem CID104524707
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
SMILESCC1COc2ccccc2C1(CO)NC1CCCCCC1
InChIInChI=1S/C18H27NO2/c1-14-12-21-17-11-7-6-10-16(17)18(14,13-20)19-15-8-4-2-3-5-9-15/h6-7,10-11,14-15,19-20H,2-5,8-9,12-13H2,1H3
InChIKeyNZSBZPSCJZLBPL-UHFFFAOYSA-N
XLogP3.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(cyclopentylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol
CID 104524708
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
[1-(cyclohexylamino)-4,4-dimethyl-2,3-dihydronaphthalen-1-yl]methanol
CID 61045098
3-methyl-4-pyrrolidin-1-yl-2,3-dihydrochromene-4-carboxylic acid
CID 104524669
[1-(cycloheptylamino)-2,3-dihydroinden-1-yl]methanol
CID 61054556
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

Frequently Asked Questions

What is the IUPAC name of [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
The IUPAC name of [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol (CID 104524707) is [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol.
What is the SMILES notation for [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
The canonical SMILES for [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol is CC1COc2ccccc2C1(CO)NC1CCCCCC1.
What is the InChIKey of [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
The InChIKey is NZSBZPSCJZLBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14-12-21-17-11-7-6-10-16(17)18(14,13-20)19-15-8-4-2-3-5-9-15/h6-7,10-11,14-15,19-20H,2-5,8-9,12-13H2,1H3.
What are the key properties of [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol?
[4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol has a molecular weight of 289.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cycloheptylamino)-3-methyl-2,3-dihydrochromen-4-yl]methanol is sourced from PubChem (CID 104524707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).