N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine

C15H17ClFNO — CID 106888976

IUPACN-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(-c2ccc(CNC(C)C)o2)c(Cl)cc1F
InChIInChI=1S/C15H17ClFNO/c1-9(2)18-8-11-4-5-15(19-11)12-6-10(3)14(17)7-13(12)16/h4-7,9,18H,8H2,1-3H3
InChIKeyZUGNFMXUAHWTES-UHFFFAOYSA-N
MW281.76 g/mol
LogP4.55
Rot. Bonds4

About N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888976) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888976
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC NameN-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(-c2ccc(CNC(C)C)o2)c(Cl)cc1F
InChIInChI=1S/C15H17ClFNO/c1-9(2)18-8-11-4-5-15(19-11)12-6-10(3)14(17)7-13(12)16/h4-7,9,18H,8H2,1-3H3
InChIKeyZUGNFMXUAHWTES-UHFFFAOYSA-N
XLogP4.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106889009
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 65435627
N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888190
N-[[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 107577096
N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 107289724
N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888159
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887913
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]-3-methylbutanoic acid
CID 66527400
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine (CID 106888976) is N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine is Cc1cc(-c2ccc(CNC(C)C)o2)c(Cl)cc1F.
What is the InChIKey of N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is ZUGNFMXUAHWTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c1-9(2)18-8-11-4-5-15(19-11)12-6-10(3)14(17)7-13(12)16/h4-7,9,18H,8H2,1-3H3.
What are the key properties of N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 281.76 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).