N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine

C14H21NOS — CID 107850113

IUPACN-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
SMILESCOc1cccc(CCNC2CSC(C)C2)c1
InChIInChI=1S/C14H21NOS/c1-11-8-13(10-17-11)15-7-6-12-4-3-5-14(9-12)16-2/h3-5,9,11,13,15H,6-8,10H2,1-2H3
InChIKeyPGJFGFCASPTABS-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.72
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine

N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine (PubChem CID 107850113) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
PubChem CID107850113
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
SMILESCOc1cccc(CCNC2CSC(C)C2)c1
InChIInChI=1S/C14H21NOS/c1-11-8-13(10-17-11)15-7-6-12-4-3-5-14(9-12)16-2/h3-5,9,11,13,15H,6-8,10H2,1-2H3
InChIKeyPGJFGFCASPTABS-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-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
CID 103920471
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate
CID 107850172
N-[(2,4-dimethoxyphenyl)methyl]-5-methylthiolan-3-amine
CID 79949733
N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 103930663
N-[2-(3-methoxyphenyl)ethyl]-1,1-dioxothian-3-amine
CID 103913830
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209
3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 107850234

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine (CID 107850113) is N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine is COc1cccc(CCNC2CSC(C)C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine?
The InChIKey is PGJFGFCASPTABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-8-13(10-17-11)15-7-6-12-4-3-5-14(9-12)16-2/h3-5,9,11,13,15H,6-8,10H2,1-2H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine?
N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-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-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 107850113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).