2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol

C16H20ClNO2 — CID 111421748

IUPAC2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCC1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H20ClNO2/c17-13-5-6-16-12(8-13)7-11(10-20-16)9-18-14-3-1-2-4-15(14)19/h5-8,14-15,18-19H,1-4,9-10H2
InChIKeyLYTSHOBKJAYKSN-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.01
Rot. Bonds3

About 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol

2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol (PubChem CID 111421748) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol
PubChem CID111421748
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCC1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C16H20ClNO2/c17-13-5-6-16-12(8-13)7-11(10-20-16)9-18-14-3-1-2-4-15(14)19/h5-8,14-15,18-19H,1-4,9-10H2
InChIKeyLYTSHOBKJAYKSN-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-2H-chromen-3-yl)methyl]ethanamine
CID 115615997
1-(6-chloro-2H-chromen-3-yl)-N-methylmethanamine;hydrochloride
CID 115616011
1-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 111114453
(3R)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 25459202
[2-[[(6-chloro-2H-chromen-3-yl)methylamino]methyl]phenyl]methanol
CID 110922653
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
(4S)-N-[(6-chloro-2H-chromen-3-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 29217398
3-[(6-chloro-2H-chromen-3-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824912
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 62358859
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
3-(6-chloro-2H-chromen-3-yl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 111471268

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol (CID 111421748) is 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol is OC1CCCCC1NCC1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol?
The InChIKey is LYTSHOBKJAYKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-13-5-6-16-12(8-13)7-11(10-20-16)9-18-14-3-1-2-4-15(14)19/h5-8,14-15,18-19H,1-4,9-10H2.
What are the key properties of 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol?
2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol has a molecular weight of 293.79 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2H-chromen-3-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 111421748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).