1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine

C14H23FN2O — CID 116720684

IUPAC1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccncc1F)C(OC)C(C)C
InChIInChI=1S/C14H23FN2O/c1-5-7-17-13(14(18-4)10(2)3)11-6-8-16-9-12(11)15/h6,8-10,13-14,17H,5,7H2,1-4H3
InChIKeyNPROIJMODYNGOQ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.93
Rot. Bonds7

About 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine

1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 116720684) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
PubChem CID116720684
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccncc1F)C(OC)C(C)C
InChIInChI=1S/C14H23FN2O/c1-5-7-17-13(14(18-4)10(2)3)11-6-8-16-9-12(11)15/h6,8-10,13-14,17H,5,7H2,1-4H3
InChIKeyNPROIJMODYNGOQ-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine with MolForge

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Related Compounds

N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738270
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
1-isoquinolin-8-yl-2-methyl-N-propylpropan-1-amine
CID 103135847

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine (CID 116720684) is 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine is CCCNC(c1ccncc1F)C(OC)C(C)C.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is NPROIJMODYNGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-5-7-17-13(14(18-4)10(2)3)11-6-8-16-9-12(11)15/h6,8-10,13-14,17H,5,7H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine?
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 254.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116720684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).