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

C16H26FN — CID 114246287

IUPACN-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(Cc1cccc(F)c1)NCC
InChIInChI=1S/C16H26FN/c1-4-6-8-13(3)16(18-5-2)12-14-9-7-10-15(17)11-14/h7,9-11,13,16,18H,4-6,8,12H2,1-3H3
InChIKeyQSVAVIUOEAXYGH-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.17
Rot. Bonds8

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

N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine (PubChem CID 114246287) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
PubChem CID114246287
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine
SMILESCCCCC(C)C(Cc1cccc(F)c1)NCC
InChIInChI=1S/C16H26FN/c1-4-6-8-13(3)16(18-5-2)12-14-9-7-10-15(17)11-14/h7,9-11,13,16,18H,4-6,8,12H2,1-3H3
InChIKeyQSVAVIUOEAXYGH-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)-3-propylhexan-2-amine
CID 82987589
[1-(3-fluorophenyl)-3-methylhexan-2-yl]hydrazine
CID 105286424
N-ethyl-3-methyl-1-pyridin-4-ylheptan-2-amine
CID 114246475
N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
CID 83161562
1-(2-chlorohexyl)-3-fluorobenzene
CID 63542141
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
[1-(3-fluorophenyl)-3-propylhexan-2-yl]hydrazine
CID 105286352
N-ethyl-1-(3-fluorophenyl)-4-methylpent-3-en-2-amine
CID 79189852
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine (CID 114246287) is N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine is CCCCC(C)C(Cc1cccc(F)c1)NCC.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine?
The InChIKey is QSVAVIUOEAXYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-6-8-13(3)16(18-5-2)12-14-9-7-10-15(17)11-14/h7,9-11,13,16,18H,4-6,8,12H2,1-3H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-3-methylheptan-2-amine?
N-ethyl-1-(3-fluorophenyl)-3-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)-3-methylheptan-2-amine is sourced from PubChem (CID 114246287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).