2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline

C15H23NOS — CID 114269774

IUPAC2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
SMILESCCOCc1ccccc1NCC1(SC)CCC1
InChIInChI=1S/C15H23NOS/c1-3-17-11-13-7-4-5-8-14(13)16-12-15(18-2)9-6-10-15/h4-5,7-8,16H,3,6,9-12H2,1-2H3
InChIKeyPNPHFQMQSGQBNA-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.92
Rot. Bonds7

About 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline

2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline (PubChem CID 114269774) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
PubChem CID114269774
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline
SMILESCCOCc1ccccc1NCC1(SC)CCC1
InChIInChI=1S/C15H23NOS/c1-3-17-11-13-7-4-5-8-14(13)16-12-15(18-2)9-6-10-15/h4-5,7-8,16H,3,6,9-12H2,1-2H3
InChIKeyPNPHFQMQSGQBNA-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(Methoxymethyl)anilino]methyl]aniline
CID 66385053
1,2,3,5-Tetrahydro-4,1-benzoxazepine
CID 18378605
3-(cyclohexyloxymethyl)-N-(3-methylsulfonylpropyl)aniline
CID 75427530
4-fluoro-N-[(E)-3-methyl-4-phenylmethoxybut-2-enyl]aniline
CID 176426886
N-methyl-2-[(S)-phenyl(propan-2-yloxy)methyl]aniline
CID 138976033
3-(1-methoxyethyl)-N-(3-methylsulfonylpropyl)aniline
CID 75427535
4,5-difluoro-N-methyl-2-(phenylmethoxymethyl)aniline
CID 161071124
2-heptyl-2,4-dihydro-1H-3,1-benzoxazine
CID 25224376
4-Ethoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 72805332
2-(4,5-dihydro-1,3-oxazol-2-yl)-N-propylaniline
CID 85605630
2-(prop-2-enoxymethyl)-N-prop-2-enylaniline
CID 86047832
2-butyl-2,4-dihydro-1H-3,1-benzoxazine
CID 102033849

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline?
The IUPAC name of 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline (CID 114269774) is 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline is CCOCc1ccccc1NCC1(SC)CCC1.
What is the InChIKey of 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline?
The InChIKey is PNPHFQMQSGQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-17-11-13-7-4-5-8-14(13)16-12-15(18-2)9-6-10-15/h4-5,7-8,16H,3,6,9-12H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline?
2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline has a molecular weight of 265.42 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]aniline is sourced from PubChem (CID 114269774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).