1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine

C14H21NS2 — CID 113256937

IUPAC1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2CSCCS2)cc1
InChIInChI=1S/C14H21NS2/c1-2-12-3-5-13(6-4-12)9-15-10-14-11-16-7-8-17-14/h3-6,14-15H,2,7-11H2,1H3
InChIKeyGEGYHUIVXPDLRP-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.19
Rot. Bonds5

About 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine

1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine (PubChem CID 113256937) has the molecular formula C14H21NS2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
PubChem CID113256937
Molecular FormulaC14H21NS2
Molecular Weight267.46 g/mol
Exact Mass267.11
IUPAC Name1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
SMILESCCc1ccc(CNCC2CSCCS2)cc1
InChIInChI=1S/C14H21NS2/c1-2-12-3-5-13(6-4-12)9-15-10-14-11-16-7-8-17-14/h3-6,14-15H,2,7-11H2,1H3
InChIKeyGEGYHUIVXPDLRP-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-diethylaniline
CID 115696118
1-(1,4-dithian-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 115685290
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(1,4-dithian-2-yl)methanamine
CID 126819995
1-(1,4-dithian-2-yl)-N-[(2-ethylphenyl)methyl]methanamine
CID 113489338
1-(1,4-dithian-2-yl)-N-(furan-3-ylmethyl)methanamine
CID 115696098
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115685226
1-(1,4-dithian-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 115696225
1-(1,4-dithian-2-yl)-N-(1H-indol-5-ylmethyl)methanamine
CID 102912029
4-[(1,4-dithian-2-ylmethylamino)methyl]-2,6-difluorophenol
CID 113256943
1-(1,4-dithian-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 115696168
1-(1,4-dithian-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103744771
2-[(1,4-dithian-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 126813894

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine (CID 113256937) is 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine is CCc1ccc(CNCC2CSCCS2)cc1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine?
The InChIKey is GEGYHUIVXPDLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS2/c1-2-12-3-5-13(6-4-12)9-15-10-14-11-16-7-8-17-14/h3-6,14-15H,2,7-11H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine?
1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-[(4-ethylphenyl)methyl]methanamine is sourced from PubChem (CID 113256937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).