4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine

C18H22F2N2O2 — CID 119164981

IUPAC4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine
SMILESCOc1cc(CNC(C)CCc2ccc(OC(F)F)cc2)ccn1
InChIInChI=1S/C18H22F2N2O2/c1-13(22-12-15-9-10-21-17(11-15)23-2)3-4-14-5-7-16(8-6-14)24-18(19)20/h5-11,13,18,22H,3-4,12H2,1-2H3
InChIKeyIUSGQCFJGHYNCG-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.80
Rot. Bonds9

About 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine

4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine (PubChem CID 119164981) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine
PubChem CID119164981
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Name4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine
SMILESCOc1cc(CNC(C)CCc2ccc(OC(F)F)cc2)ccn1
InChIInChI=1S/C18H22F2N2O2/c1-13(22-12-15-9-10-21-17(11-15)23-2)3-4-14-5-7-16(8-6-14)24-18(19)20/h5-11,13,18,22H,3-4,12H2,1-2H3
InChIKeyIUSGQCFJGHYNCG-UHFFFAOYSA-N
XLogP3.80
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937
4-[[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]methyl]benzoic acid
CID 122036120
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 43185229
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]propane-1,3-diamine
CID 60889875
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
N-but-2-ynyl-4-[4-(difluoromethoxy)phenyl]butan-2-amine
CID 115896886
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 43182373
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 49480282
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine (CID 119164981) is 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine is COc1cc(CNC(C)CCc2ccc(OC(F)F)cc2)ccn1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine?
The InChIKey is IUSGQCFJGHYNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O2/c1-13(22-12-15-9-10-21-17(11-15)23-2)3-4-14-5-7-16(8-6-14)24-18(19)20/h5-11,13,18,22H,3-4,12H2,1-2H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine?
4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine has a molecular weight of 336.38 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine is sourced from PubChem (CID 119164981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).