N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine

C14H22FNO2 — CID 103395819

IUPACN-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
SMILESCCNC(CC(C)OC)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-5-16-14(8-10(2)17-3)12-7-6-11(18-4)9-13(12)15/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyOXBCBLVNSNRPKO-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.91
Rot. Bonds7

About N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine

N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine (PubChem CID 103395819) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
PubChem CID103395819
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine
SMILESCCNC(CC(C)OC)c1ccc(OC)cc1F
InChIInChI=1S/C14H22FNO2/c1-5-16-14(8-10(2)17-3)12-7-6-11(18-4)9-13(12)15/h6-7,9-10,14,16H,5,8H2,1-4H3
InChIKeyOXBCBLVNSNRPKO-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 82922285
N,3-diethyl-1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81301494
N-ethyl-1-(2-fluoro-4-methoxyphenyl)but-3-yn-1-amine
CID 81304172
N-ethyl-3-(2-fluoro-4-methoxyphenyl)butan-2-amine
CID 103396650
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-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
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine (CID 103395819) is N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine is CCNC(CC(C)OC)c1ccc(OC)cc1F.
What is the InChIKey of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine?
The InChIKey is OXBCBLVNSNRPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-5-16-14(8-10(2)17-3)12-7-6-11(18-4)9-13(12)15/h6-7,9-10,14,16H,5,8H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine?
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-methoxybutan-1-amine is sourced from PubChem (CID 103395819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).