N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine

C16H16BrNS — CID 107630252

IUPACN-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1c(Br)cccc1NC1CCSc2ccccc21
InChIInChI=1S/C16H16BrNS/c1-11-13(17)6-4-7-14(11)18-15-9-10-19-16-8-3-2-5-12(15)16/h2-8,15,18H,9-10H2,1H3
InChIKeyBPIWEMUIECOZSO-UHFFFAOYSA-N
MW334.28 g/mol
LogP5.41
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 107630252) has the molecular formula C16H16BrNS and a molecular weight of 334.28 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID107630252
Molecular FormulaC16H16BrNS
Molecular Weight334.28 g/mol
Exact Mass333.02
IUPAC NameN-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCc1c(Br)cccc1NC1CCSc2ccccc21
InChIInChI=1S/C16H16BrNS/c1-11-13(17)6-4-7-14(11)18-15-9-10-19-16-8-3-2-5-12(15)16/h2-8,15,18H,9-10H2,1H3
InChIKeyBPIWEMUIECOZSO-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.28
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-2-methylphenyl)-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

N-(2,6-dibromo-4-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43126179
N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61075905
N-(2,5-dichloro-4-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 104726014
N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43739214
N-(4-bromo-2-ethylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81292486
N-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62815698
N-(3-bromo-2-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 107630133
N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine
CID 43192381
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine
CID 43706292
N-(3-bromo-2-methylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 107629950
N-(3-bromo-2-methylphenyl)-2-methylthian-3-amine
CID 107629947
3-bromo-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-methylaniline
CID 107633521

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 107630252) is N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine is Cc1c(Br)cccc1NC1CCSc2ccccc21.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is BPIWEMUIECOZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNS/c1-11-13(17)6-4-7-14(11)18-15-9-10-19-16-8-3-2-5-12(15)16/h2-8,15,18H,9-10H2,1H3.
What are the key properties of N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 334.28 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 107630252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).