1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

C16H18F2N2O — CID 63305824

IUPAC1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccnc1CNC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H18F2N2O/c1-11-4-3-9-19-15(11)10-20-12(2)13-5-7-14(8-6-13)21-16(17)18/h3-9,12,16,20H,10H2,1-2H3
InChIKeyCIKAZJUUFZOJAS-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.84
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine

1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 63305824) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID63305824
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCc1cccnc1CNC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H18F2N2O/c1-11-4-3-9-19-15(11)10-20-12(2)13-5-7-14(8-6-13)21-16(17)18/h3-9,12,16,20H,10H2,1-2H3
InChIKeyCIKAZJUUFZOJAS-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
N,N-dimethyl-4-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]aniline
CID 63305834
5-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107706544
(1S)-1-(3-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 95396037
1-(3-bromo-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305921
1-(2-fluoro-4-methoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305698
1-(2,3-dihydro-1H-inden-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305868
4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
CID 43205404
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine (CID 63305824) is 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is Cc1cccnc1CNC(C)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is CIKAZJUUFZOJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-11-4-3-9-19-15(11)10-20-12(2)13-5-7-14(8-6-13)21-16(17)18/h3-9,12,16,20H,10H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine?
1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 292.33 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-[(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 63305824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).