N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

C16H16ClNS — CID 43178084

IUPACN-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESClc1ccccc1CNC1CCSc2ccccc21
InChIInChI=1S/C16H16ClNS/c17-14-7-3-1-5-12(14)11-18-15-9-10-19-16-8-4-2-6-13(15)16/h1-8,15,18H,9-11H2
InChIKeyWNYDQJCMMJTVDU-UHFFFAOYSA-N
MW289.83 g/mol
LogP4.67
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43178084) has the molecular formula C16H16ClNS and a molecular weight of 289.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43178084
Molecular FormulaC16H16ClNS
Molecular Weight289.83 g/mol
Exact Mass289.07
IUPAC NameN-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESClc1ccccc1CNC1CCSc2ccccc21
InChIInChI=1S/C16H16ClNS/c17-14-7-3-1-5-12(14)11-18-15-9-10-19-16-8-4-2-6-13(15)16/h1-8,15,18H,9-11H2
InChIKeyWNYDQJCMMJTVDU-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-aminophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 66417077
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]benzene-1,2-diol
CID 61317675
N-[(2,3-dimethylphenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 60657819
N-[(5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43231634
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 62741615
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-hex-5-ynyl-3,4-dihydro-2H-thiochromen-4-amine
CID 103903582
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 60777086
6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43230785
N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103775877
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 105415014
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113349402

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 43178084) is N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is Clc1ccccc1CNC1CCSc2ccccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is WNYDQJCMMJTVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNS/c17-14-7-3-1-5-12(14)11-18-15-9-10-19-16-8-4-2-6-13(15)16/h1-8,15,18H,9-11H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 289.83 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43178084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).