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

C16H26FN — CID 63527234

IUPAC3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccccc1F)NC
InChIInChI=1S/C16H26FN/c1-4-6-9-13(5-2)16(18-3)12-14-10-7-8-11-15(14)17/h7-8,10-11,13,16,18H,4-6,9,12H2,1-3H3
InChIKeyLDOYOEZCBZMVHN-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.17
Rot. Bonds8

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

3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine (PubChem CID 63527234) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
PubChem CID63527234
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccccc1F)NC
InChIInChI=1S/C16H26FN/c1-4-6-9-13(5-2)16(18-3)12-14-10-7-8-11-15(14)17/h7-8,10-11,13,16,18H,4-6,9,12H2,1-3H3
InChIKeyLDOYOEZCBZMVHN-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

1-(2,5-dichlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 115863064
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528266
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184
1-(2-fluorophenyl)hexan-2-ylhydrazine
CID 105206821
3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine
CID 105029282
[1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105342705
[1-(3-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 102868832
3-[(2-fluorophenyl)methyl]pentan-2-amine
CID 60999151
1-(3-bromophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528117
3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
CID 61064815
N,2-diethyl-1-(2-fluorophenyl)hexan-1-amine
CID 115827935
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine?
The IUPAC name of 3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine (CID 63527234) is 3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine.
What is the SMILES notation for 3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine?
The canonical SMILES for 3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine is CCCCC(CC)C(Cc1ccccc1F)NC.
What is the InChIKey of 3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine?
The InChIKey is LDOYOEZCBZMVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-6-9-13(5-2)16(18-3)12-14-10-7-8-11-15(14)17/h7-8,10-11,13,16,18H,4-6,9,12H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine?
3-ethyl-1-(2-fluorophenyl)-N-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 3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine is sourced from PubChem (CID 63527234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).