1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine

C26H35NO2 — CID 142771464

IUPAC1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
SMILESCCC(C)CC1(N)CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1
InChIInChI=1S/C26H35NO2/c1-3-19(2)18-26(27)15-13-22(14-16-26)28-23-10-12-25-21(17-23)9-11-24(29-25)20-7-5-4-6-8-20/h4-8,10,12,17,19,22,24H,3,9,11,13-16,18,27H2,1-2H3
InChIKeyRVLPIRKUYSBZTH-UHFFFAOYSA-N
MW393.57 g/mol
LogP6.21
Rot. Bonds6

About 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine

1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine (PubChem CID 142771464) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
PubChem CID142771464
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
SMILESCCC(C)CC1(N)CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1
InChIInChI=1S/C26H35NO2/c1-3-19(2)18-26(27)15-13-22(14-16-26)28-23-10-12-25-21(17-23)9-11-24(29-25)20-7-5-4-6-8-20/h4-8,10,12,17,19,22,24H,3,9,11,13-16,18,27H2,1-2H3
InChIKeyRVLPIRKUYSBZTH-UHFFFAOYSA-N
XLogP6.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 142771453
1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 142771460
N-[[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]methyl]acetamide
CID 122658487
N-(3-methylsulfanylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658381
1-methyl-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]azepane
CID 70597681
N,N-bis(2-hydroxyethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexane-1-carboxamide
CID 142771430
N-[2-(oxan-4-yl)ethyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658448
(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 122658193
3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 142771428
8-[[2-(2,6-dimethylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,4-dioxaspiro[4.5]decane
CID 90390505
(2R)-6-phenylmethoxy-2-(4-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene
CID 142956928
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658285

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine (CID 142771464) is 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine is CCC(C)CC1(N)CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1.
What is the InChIKey of 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?
The InChIKey is RVLPIRKUYSBZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2/c1-3-19(2)18-26(27)15-13-22(14-16-26)28-23-10-12-25-21(17-23)9-11-24(29-25)20-7-5-4-6-8-20/h4-8,10,12,17,19,22,24H,3,9,11,13-16,18,27H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine?
1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine has a molecular weight of 393.57 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 142771464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).