N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine

C14H22FNS — CID 97320003

IUPACN,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine
SMILESCCN(CC)CCS[C@H](C)c1ccccc1F
InChIInChI=1S/C14H22FNS/c1-4-16(5-2)10-11-17-12(3)13-8-6-7-9-14(13)15/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyZAQUNWYBSCWSNI-GFCCVEGCSA-N
MW255.40 g/mol
LogP3.96
Rot. Bonds7

About N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine

N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine (PubChem CID 97320003) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine
PubChem CID97320003
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC NameN,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine
SMILESCCN(CC)CCS[C@H](C)c1ccccc1F
InChIInChI=1S/C14H22FNS/c1-4-16(5-2)10-11-17-12(3)13-8-6-7-9-14(13)15/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyZAQUNWYBSCWSNI-GFCCVEGCSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
N,N-diethyl-2-[1-(2-fluorophenyl)ethoxy]ethanamine
CID 90745860
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-propylacetamide
CID 60541269
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
1-(2-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269458

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine?
The IUPAC name of N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine (CID 97320003) is N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine.
What is the SMILES notation for N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine?
The canonical SMILES for N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine is CCN(CC)CCS[C@H](C)c1ccccc1F.
What is the InChIKey of N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine?
The InChIKey is ZAQUNWYBSCWSNI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22FNS/c1-4-16(5-2)10-11-17-12(3)13-8-6-7-9-14(13)15/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine?
N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine has a molecular weight of 255.40 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine is sourced from PubChem (CID 97320003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).