N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine

C16H20FNO — CID 55245951

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1ccc(CNC(C)CCc2ccco2)cc1F
InChIInChI=1S/C16H20FNO/c1-12-5-7-14(10-16(12)17)11-18-13(2)6-8-15-4-3-9-19-15/h3-5,7,9-10,13,18H,6,8,11H2,1-2H3
InChIKeyCZGFBLJMVPQJIA-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.84
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine

N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 55245951) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID55245951
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1ccc(CNC(C)CCc2ccco2)cc1F
InChIInChI=1S/C16H20FNO/c1-12-5-7-14(10-16(12)17)11-18-13(2)6-8-15-4-3-9-19-15/h3-5,7,9-10,13,18H,6,8,11H2,1-2H3
InChIKeyCZGFBLJMVPQJIA-UHFFFAOYSA-N
XLogP3.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
CID 63644837
N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43312742
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 43182373
4-(furan-2-yl)-N-(quinolin-6-ylmethyl)butan-2-amine
CID 60659039
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(furan-2-yl)butan-2-amine
CID 43804177
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine (CID 55245951) is N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine is Cc1ccc(CNC(C)CCc2ccco2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is CZGFBLJMVPQJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-12-5-7-14(10-16(12)17)11-18-13(2)6-8-15-4-3-9-19-15/h3-5,7,9-10,13,18H,6,8,11H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine?
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 55245951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).