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

C11H14ClNO — CID 82078156

IUPAC2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESNCCC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO/c12-9-1-2-11-10(7-9)8(3-5-13)4-6-14-11/h1-2,7-8H,3-6,13H2
InChIKeyKWPNRVMNFTXZIJ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.55
Rot. Bonds2

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

2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine (PubChem CID 82078156) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
PubChem CID82078156
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESNCCC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNO/c12-9-1-2-11-10(7-9)8(3-5-13)4-6-14-11/h1-2,7-8H,3-6,13H2
InChIKeyKWPNRVMNFTXZIJ-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
2-(6-phenylmethoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 11948118
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
(6-chloro-3,4-dihydro-2H-chromen-4-yl)hydrazine
CID 53403029
1-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 83909719
(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82075648
7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 64981565
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241121
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 54133919
1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 114886029
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The IUPAC name of 2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine (CID 82078156) is 2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine.
What is the SMILES notation for 2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The canonical SMILES for 2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine is NCCC1CCOc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine?
The InChIKey is KWPNRVMNFTXZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-1-2-11-10(7-9)8(3-5-13)4-6-14-11/h1-2,7-8H,3-6,13H2.
What are the key properties of 2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine?
2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,4-dihydro-2H-chromen-4-yl)ethanamine is sourced from PubChem (CID 82078156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).