8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine

C14H21NO2S — CID 45249758

IUPAC8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OCC(NCCCSC)C2
InChIInChI=1S/C14H21NO2S/c1-16-13-6-3-5-11-9-12(10-17-14(11)13)15-7-4-8-18-2/h3,5-6,12,15H,4,7-10H2,1-2H3
InChIKeyADCSBROUORQCTJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.34
Rot. Bonds6

About 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine

8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 45249758) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID45249758
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1cccc2c1OCC(NCCCSC)C2
InChIInChI=1S/C14H21NO2S/c1-16-13-6-3-5-11-9-12(10-17-14(11)13)15-7-4-8-18-2/h3,5-6,12,15H,4,7-10H2,1-2H3
InChIKeyADCSBROUORQCTJ-UHFFFAOYSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-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

8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 86806743
(3S)-8-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 99778884
N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 63981661
3-[2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 42241202
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
8-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45249546
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
(3R)-8-methoxy-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromen-3-amine
CID 42474783
4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
CID 45219852
(3S)-8-methoxy-N-(2-propylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115385
(3S)-N-(1H-benzimidazol-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromen-3-amine
CID 31017822
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-4,5,6-trimethylpyrimidin-2-amine
CID 163313873

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine (CID 45249758) is 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine is COc1cccc2c1OCC(NCCCSC)C2.
What is the InChIKey of 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is ADCSBROUORQCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-13-6-3-5-11-9-12(10-17-14(11)13)15-7-4-8-18-2/h3,5-6,12,15H,4,7-10H2,1-2H3.
What are the key properties of 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine?
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 267.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 45249758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).