N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine

C27H35NO2 — CID 122658252

IUPACN-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine
SMILESCc1ccccc1C1CCc2cc(OC3CCC(NC4CCCC4)CC3)ccc2O1
InChIInChI=1S/C27H35NO2/c1-19-6-2-5-9-25(19)27-16-10-20-18-24(15-17-26(20)30-27)29-23-13-11-22(12-14-23)28-21-7-3-4-8-21/h2,5-6,9,15,17-18,21-23,27-28H,3-4,7-8,10-14,16H2,1H3
InChIKeyWYVLIIKBUIBIMD-UHFFFAOYSA-N
MW405.58 g/mol
LogP6.28
Rot. Bonds5

About N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine

N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine (PubChem CID 122658252) has the molecular formula C27H35NO2 and a molecular weight of 405.58 g/mol. Its IUPAC name is N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine
PubChem CID122658252
Molecular FormulaC27H35NO2
Molecular Weight405.58 g/mol
Exact Mass405.27
IUPAC NameN-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine
SMILESCc1ccccc1C1CCc2cc(OC3CCC(NC4CCCC4)CC3)ccc2O1
InChIInChI=1S/C27H35NO2/c1-19-6-2-5-9-25(19)27-16-10-20-18-24(15-17-26(20)30-27)29-23-13-11-22(12-14-23)28-21-7-3-4-8-21/h2,5-6,9,15,17-18,21-23,27-28H,3-4,7-8,10-14,16H2,1H3
InChIKeyWYVLIIKBUIBIMD-UHFFFAOYSA-N
XLogP6.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.58
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine?
The IUPAC name of N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine (CID 122658252) is N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine.
What is the SMILES notation for N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine?
The canonical SMILES for N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine is Cc1ccccc1C1CCc2cc(OC3CCC(NC4CCCC4)CC3)ccc2O1.
What is the InChIKey of N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine?
The InChIKey is WYVLIIKBUIBIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO2/c1-19-6-2-5-9-25(19)27-16-10-20-18-24(15-17-26(20)30-27)29-23-13-11-22(12-14-23)28-21-7-3-4-8-21/h2,5-6,9,15,17-18,21-23,27-28H,3-4,7-8,10-14,16H2,1H3.
What are the key properties of N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine?
N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine has a molecular weight of 405.58 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine is sourced from PubChem (CID 122658252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).