N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine

C16H26FNS — CID 83161475

IUPACN-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)CSc1ccccc1F
InChIInChI=1S/C16H26FNS/c1-4-18-14(9-7-8-13(2)3)12-19-16-11-6-5-10-15(16)17/h5-6,10-11,13-14,18H,4,7-9,12H2,1-3H3
InChIKeyMRGDETLVGRXCIL-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.72
Rot. Bonds9

About N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine

N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine (PubChem CID 83161475) has the molecular formula C16H26FNS and a molecular weight of 283.46 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
PubChem CID83161475
Molecular FormulaC16H26FNS
Molecular Weight283.46 g/mol
Exact Mass283.18
IUPAC NameN-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)CSc1ccccc1F
InChIInChI=1S/C16H26FNS/c1-4-18-14(9-7-8-13(2)3)12-19-16-11-6-5-10-15(16)17/h5-6,10-11,13-14,18H,4,7-9,12H2,1-3H3
InChIKeyMRGDETLVGRXCIL-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluorophenyl)sulfanylnonan-2-amine
CID 66051552
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-amine
CID 79575022
N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine
CID 66051551
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
CID 66054051
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-yn-2-amine
CID 113374333
1-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 64621833
1-(2-chlorophenyl)sulfanyl-N-ethyldecan-2-amine
CID 66140367
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877543
[5-ethylsulfonyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
CID 105236139
1-(2,6-difluorophenyl)-N-ethyl-5-methylhexan-1-amine
CID 83161275

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine (CID 83161475) is N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine is CCNC(CCCC(C)C)CSc1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine?
The InChIKey is MRGDETLVGRXCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNS/c1-4-18-14(9-7-8-13(2)3)12-19-16-11-6-5-10-15(16)17/h5-6,10-11,13-14,18H,4,7-9,12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine?
N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine has a molecular weight of 283.46 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)sulfanyl-6-methylheptan-2-amine is sourced from PubChem (CID 83161475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).