(1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine

C17H22F2N4O — CID 164637429

IUPAC(1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCc1nc(CN)ccc1[C@H](C)NCc1cccnc1OCC(F)F
InChIInChI=1S/C17H22F2N4O/c1-11(15-6-5-14(8-20)23-12(15)2)22-9-13-4-3-7-21-17(13)24-10-16(18)19/h3-7,11,16,22H,8-10,20H2,1-2H3/t11-/m0/s1
InChIKeyPWQHJKQYXKEHQY-NSHDSACASA-N
MW336.39 g/mol
LogP2.74
Rot. Bonds8

About (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine

(1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 164637429) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID164637429
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine
SMILESCc1nc(CN)ccc1[C@H](C)NCc1cccnc1OCC(F)F
InChIInChI=1S/C17H22F2N4O/c1-11(15-6-5-14(8-20)23-12(15)2)22-9-13-4-3-7-21-17(13)24-10-16(18)19/h3-7,11,16,22H,8-10,20H2,1-2H3/t11-/m0/s1
InChIKeyPWQHJKQYXKEHQY-NSHDSACASA-N
XLogP2.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-4-methylpyrimidin-2-amine
CID 75436410
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
(1S)-N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 81409770
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide
CID 120705557
N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 103285396
(1S)-N-[(2-ethoxy-3-pyridinyl)methyl]-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 97308672
1-(2,5-dimethylthiophen-3-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61374587
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 60858838
1-(2-ethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 60859643
1-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
CID 100690740
(1R)-1-(3-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81364970

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine (CID 164637429) is (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine is Cc1nc(CN)ccc1[C@H](C)NCc1cccnc1OCC(F)F.
What is the InChIKey of (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is PWQHJKQYXKEHQY-NSHDSACASA-N. The full InChI is InChI=1S/C17H22F2N4O/c1-11(15-6-5-14(8-20)23-12(15)2)22-9-13-4-3-7-21-17(13)24-10-16(18)19/h3-7,11,16,22H,8-10,20H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine?
(1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 336.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-(aminomethyl)-2-methyl-3-pyridinyl]-N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 164637429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).