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

C18H30FNO — CID 81301494

IUPACN,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1ccc(OC)cc1F
InChIInChI=1S/C18H30FNO/c1-5-8-9-14(6-2)12-18(20-7-3)16-11-10-15(21-4)13-17(16)19/h10-11,13-14,18,20H,5-9,12H2,1-4H3
InChIKeyKWIXHADZGZIPTI-UHFFFAOYSA-N
MW295.44 g/mol
LogP5.09
Rot. Bonds10

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

N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine (PubChem CID 81301494) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
PubChem CID81301494
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
SMILESCCCCC(CC)CC(NCC)c1ccc(OC)cc1F
InChIInChI=1S/C18H30FNO/c1-5-8-9-14(6-2)12-18(20-7-3)16-11-10-15(21-4)13-17(16)19/h10-11,13-14,18,20H,5-9,12H2,1-4H3
InChIKeyKWIXHADZGZIPTI-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.44
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
1-(2-bromo-5-methoxyphenyl)-N,3-diethylheptan-1-amine
CID 105102758
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
1-(2-bromo-4-fluorophenyl)-N,3-diethylheptan-1-amine
CID 115806017
1-(5-bromo-2-fluorophenyl)-N,3-diethylheptan-1-amine
CID 114894944
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 81301655
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947
1-(2,6-difluorophenyl)-N,3-diethylheptan-1-amine
CID 79522095
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine?
The IUPAC name of N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine (CID 81301494) is N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine?
The canonical SMILES for N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine is CCCCC(CC)CC(NCC)c1ccc(OC)cc1F.
What is the InChIKey of N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine?
The InChIKey is KWIXHADZGZIPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-5-8-9-14(6-2)12-18(20-7-3)16-11-10-15(21-4)13-17(16)19/h10-11,13-14,18,20H,5-9,12H2,1-4H3.
What are the key properties of N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine?
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 5.09, 10 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)heptan-1-amine is sourced from PubChem (CID 81301494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).