N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine

C14H21NO2S — CID 43674270

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
SMILESCOc1ccc(C(C)NC2CCSC2)c(OC)c1
InChIInChI=1S/C14H21NO2S/c1-10(15-11-6-7-18-9-11)13-5-4-12(16-2)8-14(13)17-3/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyHBGDNQPGRNCXMP-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.86
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine (PubChem CID 43674270) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
PubChem CID43674270
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
SMILESCOc1ccc(C(C)NC2CCSC2)c(OC)c1
InChIInChI=1S/C14H21NO2S/c1-10(15-11-6-7-18-9-11)13-5-4-12(16-2)8-14(13)17-3/h4-5,8,10-11,15H,6-7,9H2,1-3H3
InChIKeyHBGDNQPGRNCXMP-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[(1S)-1-(2-methoxyphenyl)ethyl]thian-3-amine
CID 81397363
N-[1-(2,4-dimethoxyphenyl)ethyl]azepan-4-amine
CID 103981019
N-[1-(3,4,5-trimethoxyphenyl)ethyl]thiolan-3-amine
CID 103777484
(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 115903402
N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine
CID 103779622
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920557
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 75427981
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64762397
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine (CID 43674270) is N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine is COc1ccc(C(C)NC2CCSC2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine?
The InChIKey is HBGDNQPGRNCXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(15-11-6-7-18-9-11)13-5-4-12(16-2)8-14(13)17-3/h4-5,8,10-11,15H,6-7,9H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine has a molecular weight of 267.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 43674270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).