N-[2-(2-methoxyphenyl)ethyl]thian-3-amine

C14H21NOS — CID 103885574

IUPACN-[2-(2-methoxyphenyl)ethyl]thian-3-amine
SMILESCOc1ccccc1CCNC1CCCSC1
InChIInChI=1S/C14H21NOS/c1-16-14-7-3-2-5-12(14)8-9-15-13-6-4-10-17-11-13/h2-3,5,7,13,15H,4,6,8-11H2,1H3
InChIKeyDYTKOUAZOMVARX-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]thian-3-amine

N-[2-(2-methoxyphenyl)ethyl]thian-3-amine (PubChem CID 103885574) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]thian-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]thian-3-amine
PubChem CID103885574
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]thian-3-amine
SMILESCOc1ccccc1CCNC1CCCSC1
InChIInChI=1S/C14H21NOS/c1-16-14-7-3-2-5-12(14)8-9-15-13-6-4-10-17-11-13/h2-3,5,7,13,15H,4,6,8-11H2,1H3
InChIKeyDYTKOUAZOMVARX-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]thian-3-amine
CID 62871405
(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine
CID 95123138
N-[2-(2-methoxyphenyl)ethyl]-4,4-dimethylthian-3-amine
CID 106259675
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
CID 114165383
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103775877
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine
CID 115714524
trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768564
2-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118101
cis-(1S,2R)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768559

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]thian-3-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]thian-3-amine (CID 103885574) is N-[2-(2-methoxyphenyl)ethyl]thian-3-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]thian-3-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]thian-3-amine is COc1ccccc1CCNC1CCCSC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]thian-3-amine?
The InChIKey is DYTKOUAZOMVARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-16-14-7-3-2-5-12(14)8-9-15-13-6-4-10-17-11-13/h2-3,5,7,13,15H,4,6,8-11H2,1H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]thian-3-amine?
N-[2-(2-methoxyphenyl)ethyl]thian-3-amine has a molecular weight of 251.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]thian-3-amine is sourced from PubChem (CID 103885574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).