N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine

C18H21NOS — CID 43739214

IUPACN-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)Oc1ccccc1NC1CCSc2ccccc21
InChIInChI=1S/C18H21NOS/c1-13(2)20-17-9-5-4-8-16(17)19-15-11-12-21-18-10-6-3-7-14(15)18/h3-10,13,15,19H,11-12H2,1-2H3
InChIKeyVRUKHTGTTSNEKS-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.12
Rot. Bonds4

About N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine

N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43739214) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43739214
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(C)Oc1ccccc1NC1CCSc2ccccc21
InChIInChI=1S/C18H21NOS/c1-13(2)20-17-9-5-4-8-16(17)19-15-11-12-21-18-10-6-3-7-14(15)18/h3-10,13,15,19H,11-12H2,1-2H3
InChIKeyVRUKHTGTTSNEKS-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-2-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 107630252
N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61075905
N-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62815698
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethoxypyridin-3-amine
CID 43706292
N-(2,5-dichloro-4-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 104726014
1-N-methyl-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-diamine
CID 117027474
N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 166197136
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103777436
N-(3,4-dihydro-2H-thiochromen-4-yl)quinolin-5-amine
CID 43192381
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43739214) is N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine is CC(C)Oc1ccccc1NC1CCSc2ccccc21.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is VRUKHTGTTSNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13(2)20-17-9-5-4-8-16(17)19-15-11-12-21-18-10-6-3-7-14(15)18/h3-10,13,15,19H,11-12H2,1-2H3.
What are the key properties of N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 299.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyphenyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43739214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).