4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol

C17H25NO2 — CID 106125894

IUPAC4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1COc2ccccc2C1NCC1CCC(O)CC1
InChIInChI=1S/C17H25NO2/c1-12-11-20-16-5-3-2-4-15(16)17(12)18-10-13-6-8-14(19)9-7-13/h2-5,12-14,17-19H,6-11H2,1H3
InChIKeyISROLRHGOQCIOX-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.90
Rot. Bonds3

About 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol

4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106125894) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106125894
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCC1COc2ccccc2C1NCC1CCC(O)CC1
InChIInChI=1S/C17H25NO2/c1-12-11-20-16-5-3-2-4-15(16)17(12)18-10-13-6-8-14(19)9-7-13/h2-5,12-14,17-19H,6-11H2,1H3
InChIKeyISROLRHGOQCIOX-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetamide
CID 104523927
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3,3-dimethyl-4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 106143445
3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 106369720
3-methyl-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 104524260
3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 106126397
3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propane-1-sulfonamide
CID 104524113
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-[2-methyl-1-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-yl]methanesulfonamide
CID 104524176
4-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]pentan-1-ol
CID 113422664
methyl (2S)-2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanoate
CID 104523978
N-butan-2-yl-3-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]propanamide
CID 104524045

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol (CID 106125894) is 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol is CC1COc2ccccc2C1NCC1CCC(O)CC1.
What is the InChIKey of 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ISROLRHGOQCIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-11-20-16-5-3-2-4-15(16)17(12)18-10-13-6-8-14(19)9-7-13/h2-5,12-14,17-19H,6-11H2,1H3.
What are the key properties of 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106125894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).