N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine

C15H23NOS — CID 62871996

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
SMILESCCOCc1ccccc1CNC1CCCSC1
InChIInChI=1S/C15H23NOS/c1-2-17-11-14-7-4-3-6-13(14)10-16-15-8-5-9-18-12-15/h3-4,6-7,15-16H,2,5,8-12H2,1H3
InChIKeyJVFDQEVIWUVRHW-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.21
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine

N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine (PubChem CID 62871996) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
PubChem CID62871996
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
SMILESCCOCc1ccccc1CNC1CCCSC1
InChIInChI=1S/C15H23NOS/c1-2-17-11-14-7-4-3-6-13(14)10-16-15-8-5-9-18-12-15/h3-4,6-7,15-16H,2,5,8-12H2,1H3
InChIKeyJVFDQEVIWUVRHW-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(thian-3-ylamino)methyl]phenol
CID 115676061
2-ethoxy-6-[(thian-3-ylamino)methyl]phenol
CID 115676111
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
CID 54861796
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 60924202
N-[(2-methoxy-3-pyridinyl)methyl]thian-3-amine
CID 62870914
N-[[2-(ethoxymethyl)phenyl]methyl]-1,1-dioxothiolan-3-amine
CID 54861845
6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 112839009
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
N-[(2,6-dimethylphenyl)methyl]thian-3-amine
CID 115897863

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine (CID 62871996) is N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine is CCOCc1ccccc1CNC1CCCSC1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine?
The InChIKey is JVFDQEVIWUVRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-17-11-14-7-4-3-6-13(14)10-16-15-8-5-9-18-12-15/h3-4,6-7,15-16H,2,5,8-12H2,1H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine has a molecular weight of 265.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine is sourced from PubChem (CID 62871996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).