N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine

C16H26FN — CID 43094653

IUPACN-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NC(C)c1cccc(F)c1
InChIInChI=1S/C16H26FN/c1-5-12(3)10-16(6-2)18-13(4)14-8-7-9-15(17)11-14/h7-9,11-13,16,18H,5-6,10H2,1-4H3
InChIKeyTVWLCFYBWSDSNH-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.69
Rot. Bonds7

About N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine

N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine (PubChem CID 43094653) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
PubChem CID43094653
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
SMILESCCC(C)CC(CC)NC(C)c1cccc(F)c1
InChIInChI=1S/C16H26FN/c1-5-12(3)10-16(6-2)18-13(4)14-8-7-9-15(17)11-14/h7-9,11-13,16,18H,5-6,10H2,1-4H3
InChIKeyTVWLCFYBWSDSNH-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 81348514
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77032783
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine (CID 43094653) is N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine is CCC(C)CC(CC)NC(C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine?
The InChIKey is TVWLCFYBWSDSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-12(3)10-16(6-2)18-13(4)14-8-7-9-15(17)11-14/h7-9,11-13,16,18H,5-6,10H2,1-4H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine?
N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine is sourced from PubChem (CID 43094653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).