1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine

C11H14ClNO — CID 83909719

IUPAC1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESCC(N)C1CCOc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO/c1-7(13)9-4-5-14-11-3-2-8(12)6-10(9)11/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyZWPLKPSZQKLBLN-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.55
Rot. Bonds1

About 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine

1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine (PubChem CID 83909719) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
PubChem CID83909719
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESCC(N)C1CCOc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO/c1-7(13)9-4-5-14-11-3-2-8(12)6-10(9)11/h2-3,6-7,9H,4-5,13H2,1H3
InChIKeyZWPLKPSZQKLBLN-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82243150
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82078156
(4R)-6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 167327532
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 64981565
6-methoxy-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 155736305
1-(7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperazine
CID 82246990
7-chloro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 79982699
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 83906491
1-(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82247422

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The IUPAC name of 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine (CID 83909719) is 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine.
What is the SMILES notation for 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The canonical SMILES for 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine is CC(N)C1CCOc2ccc(Cl)cc21.
What is the InChIKey of 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The InChIKey is ZWPLKPSZQKLBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7(13)9-4-5-14-11-3-2-8(12)6-10(9)11/h2-3,6-7,9H,4-5,13H2,1H3.
What are the key properties of 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine?
1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine is sourced from PubChem (CID 83909719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).