6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine

C17H18ClNS — CID 43232508

IUPAC6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESClc1ccc2c(c1)C(NCCc1ccccc1)CCS2
InChIInChI=1S/C17H18ClNS/c18-14-6-7-17-15(12-14)16(9-11-20-17)19-10-8-13-4-2-1-3-5-13/h1-7,12,16,19H,8-11H2
InChIKeyCBRHMFUNAZPVFI-UHFFFAOYSA-N
MW303.86 g/mol
LogP4.71
Rot. Bonds4

About 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43232508) has the molecular formula C17H18ClNS and a molecular weight of 303.86 g/mol. Its IUPAC name is 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43232508
Molecular FormulaC17H18ClNS
Molecular Weight303.86 g/mol
Exact Mass303.08
IUPAC Name6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESClc1ccc2c(c1)C(NCCc1ccccc1)CCS2
InChIInChI=1S/C17H18ClNS/c18-14-6-7-17-15(12-14)16(9-11-20-17)19-10-8-13-4-2-1-3-5-13/h1-7,12,16,19H,8-11H2
InChIKeyCBRHMFUNAZPVFI-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
6-chloro-N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232488
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-(3-cyclopentylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106008850
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
CID 43232911
1-benzyl-3-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)thiourea
CID 42921691
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylurea
CID 83111726
6-chloro-N-(thian-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115719910
6-chloro-N-[(1-ethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 114099597
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106335886
3-[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781944
6-chloro-N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43771391

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43232508) is 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine is Clc1ccc2c(c1)C(NCCc1ccccc1)CCS2.
What is the InChIKey of 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is CBRHMFUNAZPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNS/c18-14-6-7-17-15(12-14)16(9-11-20-17)19-10-8-13-4-2-1-3-5-13/h1-7,12,16,19H,8-11H2.
What are the key properties of 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 303.86 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-phenylethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43232508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).