7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine

C16H15Cl2NO2 — CID 129243893

IUPAC7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
SMILESNC1COc2cc(OCc3c(Cl)cccc3Cl)ccc2C1
InChIInChI=1S/C16H15Cl2NO2/c17-14-2-1-3-15(18)13(14)9-20-12-5-4-10-6-11(19)8-21-16(10)7-12/h1-5,7,11H,6,8-9,19H2
InChIKeyVLIIXUNRYJRRDM-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.83
Rot. Bonds3

About 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine

7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 129243893) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
PubChem CID129243893
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
SMILESNC1COc2cc(OCc3c(Cl)cccc3Cl)ccc2C1
InChIInChI=1S/C16H15Cl2NO2/c17-14-2-1-3-15(18)13(14)9-20-12-5-4-10-6-11(19)8-21-16(10)7-12/h1-5,7,11H,6,8-9,19H2
InChIKeyVLIIXUNRYJRRDM-UHFFFAOYSA-N
XLogP3.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-7-chloro-3,4-dihydro-2H-chromen-3-amine
CID 92966039
2-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]oxy]acetic acid
CID 129243674
6-(thiophen-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096549
2-[1-[[7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-yl]amino]cyclopentyl]acetic acid
CID 129243758
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
N-[[3-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazol-5-yl]methyl]-7-[(2-chloro-6-ethylphenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine
CID 140793155
7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-amine
CID 137480568
6-[(4-bromothiophen-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095837
6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097070
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201

Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine (CID 129243893) is 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine is NC1COc2cc(OCc3c(Cl)cccc3Cl)ccc2C1.
What is the InChIKey of 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is VLIIXUNRYJRRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c17-14-2-1-3-15(18)13(14)9-20-12-5-4-10-6-11(19)8-21-16(10)7-12/h1-5,7,11H,6,8-9,19H2.
What are the key properties of 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine?
7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 324.21 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dichlorophenyl)methoxy]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 129243893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).