N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine

C16H26FN — CID 83161562

IUPACN-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)Cc1cccc(F)c1
InChIInChI=1S/C16H26FN/c1-4-18-16(10-5-7-13(2)3)12-14-8-6-9-15(17)11-14/h6,8-9,11,13,16,18H,4-5,7,10,12H2,1-3H3
InChIKeyWYSPKAUVFODHKQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.17
Rot. Bonds8

About N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine

N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine (PubChem CID 83161562) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
PubChem CID83161562
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
SMILESCCNC(CCCC(C)C)Cc1cccc(F)c1
InChIInChI=1S/C16H26FN/c1-4-18-16(10-5-7-13(2)3)12-14-8-6-9-15(17)11-14/h6,8-9,11,13,16,18H,4-5,7,10,12H2,1-3H3
InChIKeyWYSPKAUVFODHKQ-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192315
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
N-ethyl-1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135077
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
CID 83160928
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
N-ethyl-1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367606
1-(3-fluorophenyl)-N-methylundecan-2-amine
CID 63417215
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
CID 114246287
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 107884568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine (CID 83161562) is N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine is CCNC(CCCC(C)C)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine?
The InChIKey is WYSPKAUVFODHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-18-16(10-5-7-13(2)3)12-14-8-6-9-15(17)11-14/h6,8-9,11,13,16,18H,4-5,7,10,12H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine?
N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine is sourced from PubChem (CID 83161562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).