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

C17H25NO2 — CID 104944916

IUPAC(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(CC1CCCCC1)C[C@H]2N
InChIInChI=1S/C17H25NO2/c1-19-13-7-8-15-16(18)10-14(20-17(15)11-13)9-12-5-3-2-4-6-12/h7-8,11-12,14,16H,2-6,9-10,18H2,1H3/t14?,16-/m1/s1
InChIKeyICMHORDWCWQXIN-BZSJEYESSA-N
MW275.39 g/mol
LogP3.82
Rot. Bonds3

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

(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944916) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944916
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc2c(c1)OC(CC1CCCCC1)C[C@H]2N
InChIInChI=1S/C17H25NO2/c1-19-13-7-8-15-16(18)10-14(20-17(15)11-13)9-12-5-3-2-4-6-12/h7-8,11-12,14,16H,2-6,9-10,18H2,1H3/t14?,16-/m1/s1
InChIKeyICMHORDWCWQXIN-BZSJEYESSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine 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

(4R)-2-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947122
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708832
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
(4R)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 104944729
2-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859
(2R)-3-[[(2R,4R)-4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl]methoxy]propane-1,2-diol;hydrochloride
CID 140767062
4-(4-amino-7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
CID 114708803
7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708777
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
(4R)-7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944809

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104944916) is (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc2c(c1)OC(CC1CCCCC1)C[C@H]2N.
What is the InChIKey of (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ICMHORDWCWQXIN-BZSJEYESSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-13-7-8-15-16(18)10-14(20-17(15)11-13)9-12-5-3-2-4-6-12/h7-8,11-12,14,16H,2-6,9-10,18H2,1H3/t14?,16-/m1/s1.
What are the key properties of (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 275.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).