ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane

C21H34F2N2O — CID 144795671

IUPACethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane
SMILESC.CC.CC.COc1ccc(C(C)(F)CN)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C16H18F2N2O.2C2H6.CH4/c1-10-8-11(4-5-12(10)17)15-13(21-3)6-7-14(20-15)16(2,18)9-19;2*1-2;/h4-8H,9,19H2,1-3H3;2*1-2H3;1H4
InChIKeyPOTPRZXBXMTOQU-UHFFFAOYSA-N
MW368.51 g/mol
LogP6.04
Rot. Bonds4

About ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane

ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane (PubChem CID 144795671) has the molecular formula C21H34F2N2O and a molecular weight of 368.51 g/mol. Its IUPAC name is ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane.

Molecular Properties

Compound Nameethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane
PubChem CID144795671
Molecular FormulaC21H34F2N2O
Molecular Weight368.51 g/mol
Exact Mass368.26
IUPAC Nameethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane
SMILESC.CC.CC.COc1ccc(C(C)(F)CN)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C16H18F2N2O.2C2H6.CH4/c1-10-8-11(4-5-12(10)17)15-13(21-3)6-7-14(20-15)16(2,18)9-19;2*1-2;/h4-8H,9,19H2,1-3H3;2*1-2H3;1H4
InChIKeyPOTPRZXBXMTOQU-UHFFFAOYSA-N
XLogP6.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-methylpropan-1-amine
CID 163689738
4-(2-fluoroethoxy)-N-[2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propyl]-3-methoxybenzamide
CID 144795793
4,4-difluoro-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158184316
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
CID 176729624
ethyl 2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-isocyanopropanoate
CID 123510794
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
(4S)-4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butan-1-one
CID 158950146
[3-amino-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-hydroxypropyl] (1E,3Z)-4-butoxy-3-methoxycycloocta-1,3,5-triene-1-carboxylate
CID 144795975
4-cyclopropyl-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butan-1-one
CID 158611792
1-[4-(difluoromethoxy)-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-hydroxybutan-1-one
CID 159246010
1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-(5-fluoro-3-pyridinyl)butane-1,4-dione
CID 167552786
3-methoxy-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134627212

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane?
The IUPAC name of ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane (CID 144795671) is ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane.
What is the SMILES notation for ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane?
The canonical SMILES for ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane is C.CC.CC.COc1ccc(C(C)(F)CN)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane?
The InChIKey is POTPRZXBXMTOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O.2C2H6.CH4/c1-10-8-11(4-5-12(10)17)15-13(21-3)6-7-14(20-15)16(2,18)9-19;2*1-2;/h4-8H,9,19H2,1-3H3;2*1-2H3;1H4.
What are the key properties of ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane?
ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane has a molecular weight of 368.51 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]propan-1-amine;methane is sourced from PubChem (CID 144795671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).