N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine

C16H26FNO — CID 82922285

IUPACN,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(OC)cc1F
InChIInChI=1S/C16H26FNO/c1-5-12(6-2)10-16(18-7-3)14-9-8-13(19-4)11-15(14)17/h8-9,11-12,16,18H,5-7,10H2,1-4H3
InChIKeyREIMPGRWUBFISD-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.31
Rot. Bonds8

About N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine

N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine (PubChem CID 82922285) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
PubChem CID82922285
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)c1ccc(OC)cc1F
InChIInChI=1S/C16H26FNO/c1-5-12(6-2)10-16(18-7-3)14-9-8-13(19-4)11-15(14)17/h8-9,11-12,16,18H,5-7,10H2,1-4H3
InChIKeyREIMPGRWUBFISD-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81301494
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
CID 103395819
N-ethyl-1-(2-fluoro-4-methoxyphenyl)but-3-yn-1-amine
CID 81304172
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
4-[2-(ethylamino)-2-(2-fluoro-4-methoxyphenyl)ethyl]phenol
CID 81301341
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 81301655
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
CID 103396650
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-1-amine
CID 105102758
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 81304832
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 81304833
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine?
The IUPAC name of N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine (CID 82922285) is N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine is CCNC(CC(CC)CC)c1ccc(OC)cc1F.
What is the InChIKey of N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine?
The InChIKey is REIMPGRWUBFISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-12(6-2)10-16(18-7-3)14-9-8-13(19-4)11-15(14)17/h8-9,11-12,16,18H,5-7,10H2,1-4H3.
What are the key properties of N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine?
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine is sourced from PubChem (CID 82922285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).