7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine

C10H12ClNO2 — CID 81481829

IUPAC7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCONC1CCOc2cc(Cl)ccc21
InChIInChI=1S/C10H12ClNO2/c1-13-12-9-4-5-14-10-6-7(11)2-3-8(9)10/h2-3,6,9,12H,4-5H2,1H3
InChIKeyMJLCHVFWKWXVIG-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.31
Rot. Bonds2

About 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine

7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 81481829) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID81481829
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCONC1CCOc2cc(Cl)ccc21
InChIInChI=1S/C10H12ClNO2/c1-13-12-9-4-5-14-10-6-7(11)2-3-8(9)10/h2-3,6,9,12H,4-5H2,1H3
InChIKeyMJLCHVFWKWXVIG-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79982699
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
8-fluoro-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 81482118
7-chloro-8-fluoro-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 82717073
(4R)-7-chloro-3,4-dihydro-2H-chromen-4-ol
CID 79002138
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 54133919
N-methoxy-6-propoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481795
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
8-bromo-7-fluoro-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 83234816
N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(methylamino)acetamide
CID 120705764
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81366354
3-amino-N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)butanamide;hydrochloride
CID 120874099

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 81481829) is 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine is CONC1CCOc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MJLCHVFWKWXVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-13-12-9-4-5-14-10-6-7(11)2-3-8(9)10/h2-3,6,9,12H,4-5H2,1H3.
What are the key properties of 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine?
7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 213.66 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 81481829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).