2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine

C16H26FNO — CID 116761475

IUPAC2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(F)c1)C(CC)(CC)OC
InChIInChI=1S/C16H26FNO/c1-5-11-18-15(16(6-2,7-3)19-4)13-9-8-10-14(17)12-13/h8-10,12,15,18H,5-7,11H2,1-4H3
InChIKeyJFCSMZXRBBWUOM-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.07
Rot. Bonds8

About 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine

2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine (PubChem CID 116761475) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine
PubChem CID116761475
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(F)c1)C(CC)(CC)OC
InChIInChI=1S/C16H26FNO/c1-5-11-18-15(16(6-2,7-3)19-4)13-9-8-10-14(17)12-13/h8-10,12,15,18H,5-7,11H2,1-4H3
InChIKeyJFCSMZXRBBWUOM-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757755
2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 116760343
2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116761495
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine
CID 116761534
N-[cyclopropyl-(3-fluorophenyl)methyl]propan-1-amine
CID 60818901
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
N-[(3-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115791989
N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine
CID 115528827
2-[[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]acetonitrile
CID 97334665
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine (CID 116761475) is 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine is CCCNC(c1cccc(F)c1)C(CC)(CC)OC.
What is the InChIKey of 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine?
The InChIKey is JFCSMZXRBBWUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-11-18-15(16(6-2,7-3)19-4)13-9-8-10-14(17)12-13/h8-10,12,15,18H,5-7,11H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine?
2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 116761475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).