N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine

C16H25NOS — CID 103776706

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOCc1ccccc1CNC1CCCCC1SC
InChIInChI=1S/C16H25NOS/c1-18-12-14-8-4-3-7-13(14)11-17-15-9-5-6-10-16(15)19-2/h3-4,7-8,15-17H,5-6,9-12H2,1-2H3
InChIKeyIURUJQMPBBOZTN-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.60
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine

N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine (PubChem CID 103776706) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
PubChem CID103776706
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
SMILESCOCc1ccccc1CNC1CCCCC1SC
InChIInChI=1S/C16H25NOS/c1-18-12-14-8-4-3-7-13(14)11-17-15-9-5-6-10-16(15)19-2/h3-4,7-8,15-17H,5-6,9-12H2,1-2H3
InChIKeyIURUJQMPBBOZTN-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(E,3S)-N-[(1R)-1-phenylethyl]-1-phenylmethoxyhex-4-en-3-amine
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(s)-S-(2-benzyloxycarbonylamino-2-phenylethyl) ethanethioate
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2-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32601269
N-[[2-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]propan-2-amine
CID 55073349
1-(3,4-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743771
1-(3-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744196
N-[(2-fluorophenyl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine (CID 103776706) is N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine is COCc1ccccc1CNC1CCCCC1SC.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is IURUJQMPBBOZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-18-12-14-8-4-3-7-13(14)11-17-15-9-5-6-10-16(15)19-2/h3-4,7-8,15-17H,5-6,9-12H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 103776706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).