N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine

C16H19F2NO2 — CID 43182373

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2NO2/c1-12(4-7-14-3-2-10-20-14)19-11-13-5-8-15(9-6-13)21-16(17)18/h2-3,5-6,8-10,12,16,19H,4,7,11H2,1H3
InChIKeyCXZDVXZVSMUWMM-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.99
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43182373) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID43182373
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H19F2NO2/c1-12(4-7-14-3-2-10-20-14)19-11-13-5-8-15(9-6-13)21-16(17)18/h2-3,5-6,8-10,12,16,19H,4,7,11H2,1H3
InChIKeyCXZDVXZVSMUWMM-UHFFFAOYSA-N
XLogP3.99
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
4-[[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]methyl]benzoic acid
CID 122036120
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine (CID 43182373) is N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is CXZDVXZVSMUWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c1-12(4-7-14-3-2-10-20-14)19-11-13-5-8-15(9-6-13)21-16(17)18/h2-3,5-6,8-10,12,16,19H,4,7,11H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 295.33 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43182373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).