2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine

C17H18ClNOS — CID 114745649

IUPAC2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
SMILESNC(CSc1ccc(Cl)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C17H18ClNOS/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1,3,5-9,16H,2,4,10-11,19H2
InChIKeyZPLNTXZAAQQJTP-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.46
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine

2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine (PubChem CID 114745649) has the molecular formula C17H18ClNOS and a molecular weight of 319.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
PubChem CID114745649
Molecular FormulaC17H18ClNOS
Molecular Weight319.86 g/mol
Exact Mass319.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
SMILESNC(CSc1ccc(Cl)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C17H18ClNOS/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1,3,5-9,16H,2,4,10-11,19H2
InChIKeyZPLNTXZAAQQJTP-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol
CID 114744615
2-cyclohexylsulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745496
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107995512
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
2-cyclopentylsulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 114745488
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
[1-(3,4-dihydro-2H-chromen-8-yl)-2-methylsulfanylethyl]hydrazine
CID 105214067
(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744548
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine (CID 114745649) is 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine is NC(CSc1ccc(Cl)cc1)c1cccc2c1OCCC2.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine?
The InChIKey is ZPLNTXZAAQQJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNOS/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1,3,5-9,16H,2,4,10-11,19H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine?
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine has a molecular weight of 319.86 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine is sourced from PubChem (CID 114745649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).