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

C18H21NOS — CID 166197136

IUPACN-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(CNC1CCSc2ccccc21)Oc1ccccc1
InChIInChI=1S/C18H21NOS/c1-14(20-15-7-3-2-4-8-15)13-19-17-11-12-21-18-10-6-5-9-16(17)18/h2-10,14,17,19H,11-13H2,1H3
InChIKeyFLCUFFQPKZUFTF-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.28
Rot. Bonds5

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

N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 166197136) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID166197136
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(CNC1CCSc2ccccc21)Oc1ccccc1
InChIInChI=1S/C18H21NOS/c1-14(20-15-7-3-2-4-8-15)13-19-17-11-12-21-18-10-6-5-9-16(17)18/h2-10,14,17,19H,11-13H2,1H3
InChIKeyFLCUFFQPKZUFTF-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-methylpropanenitrile
CID 60658495
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-1,1-difluoropropan-2-ol
CID 103787915
N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 112800989
1-[4-[(2R)-3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-hydroxypropoxy]phenyl]ethanone
CID 40730913
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
N-(2-phenoxypropyl)thiolan-3-amine
CID 115889988
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]hexan-1-ol
CID 103787361
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
4-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)butan-2-ol
CID 71915910
N-[2-(cyclopropylmethoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103782741

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 166197136) is N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine is CC(CNC1CCSc2ccccc21)Oc1ccccc1.
What is the InChIKey of N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is FLCUFFQPKZUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-14(20-15-7-3-2-4-8-15)13-19-17-11-12-21-18-10-6-5-9-16(17)18/h2-10,14,17,19H,11-13H2,1H3.
What are the key properties of N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 299.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 166197136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).