N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine

C15H18FNO2 — CID 106887913

IUPACN-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1cccc(-c2ccc(CNC(C)C)o2)c1F
InChIInChI=1S/C15H18FNO2/c1-10(2)17-9-11-7-8-13(19-11)12-5-4-6-14(18-3)15(12)16/h4-8,10,17H,9H2,1-3H3
InChIKeyJBDDZHKGVCRLGR-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.59
Rot. Bonds5

About N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106887913) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID106887913
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1cccc(-c2ccc(CNC(C)C)o2)c1F
InChIInChI=1S/C15H18FNO2/c1-10(2)17-9-11-7-8-13(19-11)12-5-4-6-14(18-3)15(12)16/h4-8,10,17H,9H2,1-3H3
InChIKeyJBDDZHKGVCRLGR-UHFFFAOYSA-N
XLogP3.59
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 107622707
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703
N-[[5-(7-fluoro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888190
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106889009
N-[[5-(7-methyl-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888159
N-[[5-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888976
1-[5-(3-chloro-2-fluorophenyl)furan-2-yl]-N-methylmethanamine
CID 43624907
N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887909
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 104791634
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[[5-[2-methyl-4-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888266

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine (CID 106887913) is N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine is COc1cccc(-c2ccc(CNC(C)C)o2)c1F.
What is the InChIKey of N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is JBDDZHKGVCRLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10(2)17-9-11-7-8-13(19-11)12-5-4-6-14(18-3)15(12)16/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106887913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).