N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine

C16H19F2NO — CID 115526047

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1cccc(C(F)F)c1
InChIInChI=1S/C16H19F2NO/c1-12(7-8-15-6-3-9-20-15)19-11-13-4-2-5-14(10-13)16(17)18/h2-6,9-10,12,16,19H,7-8,11H2,1H3
InChIKeyRFYQEHFGRBFZEV-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.33
Rot. Bonds7

About N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine

N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 115526047) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID115526047
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCc1cccc(C(F)F)c1
InChIInChI=1S/C16H19F2NO/c1-12(7-8-15-6-3-9-20-15)19-11-13-4-2-5-14(10-13)16(17)18/h2-6,9-10,12,16,19H,7-8,11H2,1H3
InChIKeyRFYQEHFGRBFZEV-UHFFFAOYSA-N
XLogP4.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2-(furan-2-yl)ethanamine
CID 113328695
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
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 43182373
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981
N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
CID 115526455
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine
CID 60659039
4-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 62312823
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 104796828

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine (CID 115526047) is N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NCc1cccc(C(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is RFYQEHFGRBFZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-12(7-8-15-6-3-9-20-15)19-11-13-4-2-5-14(10-13)16(17)18/h2-6,9-10,12,16,19H,7-8,11H2,1H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 115526047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).