N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C15H17NOS — CID 43223509

IUPACN-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(CNC2CCOc3ccccc32)s1
InChIInChI=1S/C15H17NOS/c1-11-6-7-12(18-11)10-16-14-8-9-17-15-5-3-2-4-13(14)15/h2-7,14,16H,8-10H2,1H3
InChIKeyLTAGBKMPAHZLRD-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.67
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43223509) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43223509
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(CNC2CCOc3ccccc32)s1
InChIInChI=1S/C15H17NOS/c1-11-6-7-12(18-11)10-16-14-8-9-17-15-5-3-2-4-13(14)15/h2-7,14,16H,8-10H2,1H3
InChIKeyLTAGBKMPAHZLRD-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 102833135
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221295
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 61209134
N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 62760281
N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79101117
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43786832

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 43223509) is N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(CNC2CCOc3ccccc32)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LTAGBKMPAHZLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-11-6-7-12(18-11)10-16-14-8-9-17-15-5-3-2-4-13(14)15/h2-7,14,16H,8-10H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 259.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43223509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).