(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine

C14H14ClNOS — CID 62275925

IUPAC(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNC(c1ccc2c(c1)CCCO2)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNOS/c15-13-6-5-12(18-13)14(16)10-3-4-11-9(8-10)2-1-7-17-11/h3-6,8,14H,1-2,7,16H2
InChIKeyCASGJYCOYRYKFY-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.77
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine

(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine (PubChem CID 62275925) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
PubChem CID62275925
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
SMILESNC(c1ccc2c(c1)CCCO2)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClNOS/c15-13-6-5-12(18-13)14(16)10-3-4-11-9(8-10)2-1-7-17-11/h3-6,8,14H,1-2,7,16H2
InChIKeyCASGJYCOYRYKFY-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzodioxol-5-yl-(5-chlorothiophen-2-yl)methanamine
CID 43114603
(5-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43464388
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanamine
CID 79693199
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026960
1,3-dihydro-2-benzofuran-5-yl(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 63731423
7-[amino-(5-chlorothiophen-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 62277824
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-methylthiophen-2-yl)methanamine
CID 43464089
2,3-dihydro-1-benzofuran-5-yl-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237495
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
[3-(aminomethyl)phenyl]-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 116936978
(4-bromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 113425095

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine (CID 62275925) is (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine is NC(c1ccc2c(c1)CCCO2)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
The InChIKey is CASGJYCOYRYKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c15-13-6-5-12(18-13)14(16)10-3-4-11-9(8-10)2-1-7-17-11/h3-6,8,14H,1-2,7,16H2.
What are the key properties of (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine?
(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine has a molecular weight of 279.79 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine is sourced from PubChem (CID 62275925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).