1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine

C16H25NS — CID 114115868

IUPAC1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
SMILESCCc1ccc(CNCC2(SC)CCCC2)cc1
InChIInChI=1S/C16H25NS/c1-3-14-6-8-15(9-7-14)12-17-13-16(18-2)10-4-5-11-16/h6-9,17H,3-5,10-13H2,1-2H3
InChIKeyNQVXVSBEWFIDGR-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.01
Rot. Bonds6

About 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine

1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine (PubChem CID 114115868) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
PubChem CID114115868
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine
SMILESCCc1ccc(CNCC2(SC)CCCC2)cc1
InChIInChI=1S/C16H25NS/c1-3-14-6-8-15(9-7-14)12-17-13-16(18-2)10-4-5-11-16/h6-9,17H,3-5,10-13H2,1-2H3
InChIKeyNQVXVSBEWFIDGR-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266974
1-[4-(methoxymethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267089
N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 107267189
N-[(1-methylsulfanylcyclopropyl)methyl]-1-pyridin-4-ylmethanamine
CID 107267578
N-[(1-methylsulfanylcyclopropyl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 107267440
1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266984
1-(3-ethoxy-4-methoxyphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107267051
2-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenol
CID 107267118
1-(3-fluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267608
1-[3-(difluoromethyl)phenyl]-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 114115671
N-[(1-methylsulfanylcyclobutyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 107267060
1-(3-fluoro-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267370

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine (CID 114115868) is 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine is CCc1ccc(CNCC2(SC)CCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
The InChIKey is NQVXVSBEWFIDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-14-6-8-15(9-7-14)12-17-13-16(18-2)10-4-5-11-16/h6-9,17H,3-5,10-13H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine?
1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine has a molecular weight of 263.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(1-methylsulfanylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 114115868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).