7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

C17H25NO2 — CID 114708777

IUPAC7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(C1CCC(C)CC1)CC2N
InChIInChI=1S/C17H25NO2/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h7-9,11-12,15-16H,3-6,10,18H2,1-2H3
InChIKeyWDMOKMCAUBSMSU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.67
Rot. Bonds2

About 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine

7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114708777) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114708777
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(C1CCC(C)CC1)CC2N
InChIInChI=1S/C17H25NO2/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h7-9,11-12,15-16H,3-6,10,18H2,1-2H3
InChIKeyWDMOKMCAUBSMSU-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103278012
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
6-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715458
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944916
ethyl 4-[(2S,4S)-4-amino-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-2-yl]cyclohexane-1-carboxylate
CID 140766937
(4R)-7-methoxy-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944827
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
CID 114708803

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine (CID 114708777) is 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(C1CCC(C)CC1)CC2N.
What is the InChIKey of 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WDMOKMCAUBSMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-3-5-12(6-4-11)16-10-15(18)14-8-7-13(19-2)9-17(14)20-16/h7-9,11-12,15-16H,3-6,10,18H2,1-2H3.
What are the key properties of 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine?
7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 275.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114708777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).