N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine

C14H22FNO — CID 43728729

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
SMILESCCC(CC)NC(C)c1cc(F)ccc1OC
InChIInChI=1S/C14H22FNO/c1-5-12(6-2)16-10(3)13-9-11(15)7-8-14(13)17-4/h7-10,12,16H,5-6H2,1-4H3
InChIKeySBNLNNAHHBFHIX-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.67
Rot. Bonds6

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine (PubChem CID 43728729) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
PubChem CID43728729
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
SMILESCCC(CC)NC(C)c1cc(F)ccc1OC
InChIInChI=1S/C14H22FNO/c1-5-12(6-2)16-10(3)13-9-11(15)7-8-14(13)17-4/h7-10,12,16H,5-6H2,1-4H3
InChIKeySBNLNNAHHBFHIX-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43728698
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
CID 47372622
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43728739
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 60789929
1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 102612474

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine (CID 43728729) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine is CCC(CC)NC(C)c1cc(F)ccc1OC.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine?
The InChIKey is SBNLNNAHHBFHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-12(6-2)16-10(3)13-9-11(15)7-8-14(13)17-4/h7-10,12,16H,5-6H2,1-4H3.
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine has a molecular weight of 239.33 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine is sourced from PubChem (CID 43728729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).