[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine

C15H16F2N2O2 — CID 68547360

IUPAC[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
SMILESCCOc1cc(C(N)c2cccnc2)ccc1OC(F)F
InChIInChI=1S/C15H16F2N2O2/c1-2-20-13-8-10(5-6-12(13)21-15(16)17)14(18)11-4-3-7-19-9-11/h3-9,14-15H,2,18H2,1H3
InChIKeyAJSDPTCSHZKSQQ-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.13
Rot. Bonds6

About [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine

[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine (PubChem CID 68547360) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
PubChem CID68547360
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
SMILESCCOc1cc(C(N)c2cccnc2)ccc1OC(F)F
InChIInChI=1S/C15H16F2N2O2/c1-2-20-13-8-10(5-6-12(13)21-15(16)17)14(18)11-4-3-7-19-9-11/h3-9,14-15H,2,18H2,1H3
InChIKeyAJSDPTCSHZKSQQ-UHFFFAOYSA-N
XLogP3.13
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-pyridin-3-ylmethanamine
CID 68521776
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrimidin-5-ylmethanamine
CID 68522251
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
CID 105143419
[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-pyrazin-2-ylmethanamine
CID 68523327
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 19554984
N-but-3-yn-2-yl-1-[4-(difluoromethoxy)-3-ethoxyphenyl]ethane-1,2-diamine
CID 114416097
3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
CID 115914318
4-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]butanoic acid
CID 66097892
N-but-3-ynyl-1-[4-(difluoromethoxy)-3-ethoxyphenyl]ethane-1,2-diamine
CID 116641197
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine?
The IUPAC name of [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine (CID 68547360) is [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine.
What is the SMILES notation for [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine?
The canonical SMILES for [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine is CCOc1cc(C(N)c2cccnc2)ccc1OC(F)F.
What is the InChIKey of [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine?
The InChIKey is AJSDPTCSHZKSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-2-20-13-8-10(5-6-12(13)21-15(16)17)14(18)11-4-3-7-19-9-11/h3-9,14-15H,2,18H2,1H3.
What are the key properties of [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine?
[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine has a molecular weight of 294.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine is sourced from PubChem (CID 68547360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).