(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine

C10H12ClNO — CID 82398520

IUPAC(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESNCC1COc2c(Cl)cccc2C1
InChIInChI=1S/C10H12ClNO/c11-9-3-1-2-8-4-7(5-12)6-13-10(8)9/h1-3,7H,4-6,12H2
InChIKeyKLTFAVDEXBGKFP-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.85
Rot. Bonds1

About (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine

(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine (PubChem CID 82398520) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine.

Molecular Properties

Compound Name(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine
PubChem CID82398520
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine
SMILESNCC1COc2c(Cl)cccc2C1
InChIInChI=1S/C10H12ClNO/c11-9-3-1-2-8-4-7(5-12)6-13-10(8)9/h1-3,7H,4-6,12H2
InChIKeyKLTFAVDEXBGKFP-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 167726638
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690
2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
CID 105499907
3-(methoxymethyl)-3,4-dihydro-2H-chromen-8-amine
CID 105447073
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-amine
CID 40787213
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 134208091
(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241614
(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105498590
(3S)-7-chloro-8-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 137480705
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684

Frequently Asked Questions

What is the IUPAC name of (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine?
The IUPAC name of (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine (CID 82398520) is (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine.
What is the SMILES notation for (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine?
The canonical SMILES for (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine is NCC1COc2c(Cl)cccc2C1.
What is the InChIKey of (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine?
The InChIKey is KLTFAVDEXBGKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-3-1-2-8-4-7(5-12)6-13-10(8)9/h1-3,7H,4-6,12H2.
What are the key properties of (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine?
(8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine has a molecular weight of 197.66 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-3,4-dihydro-2H-chromen-3-yl)methanamine is sourced from PubChem (CID 82398520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).