N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine

C15H17ClFNO2 — CID 106684326

IUPACN-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1ccc(OC)cc1F
InChIInChI=1S/C15H17ClFNO2/c1-3-8-18-15(13-6-7-14(16)20-13)11-5-4-10(19-2)9-12(11)17/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyMZCQFBKDISRGHE-UHFFFAOYSA-N
MW297.76 g/mol
LogP4.17
Rot. Bonds6

About N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine

N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 106684326) has the molecular formula C15H17ClFNO2 and a molecular weight of 297.76 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
PubChem CID106684326
Molecular FormulaC15H17ClFNO2
Molecular Weight297.76 g/mol
Exact Mass297.09
IUPAC NameN-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)c1ccc(OC)cc1F
InChIInChI=1S/C15H17ClFNO2/c1-3-8-18-15(13-6-7-14(16)20-13)11-5-4-10(19-2)9-12(11)17/h4-7,9,15,18H,3,8H2,1-2H3
InChIKeyMZCQFBKDISRGHE-UHFFFAOYSA-N
XLogP4.17
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(5-chlorofuran-2-yl)-(5-chloro-2-methoxyphenyl)methyl]propan-1-amine
CID 106684608
N-[(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methyl]ethanamine
CID 106684349
N-[(5-chlorofuran-2-yl)-(2,6-difluoro-4-methoxyphenyl)methyl]ethanamine
CID 106684353
N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102647915
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
N-[(5-chlorofuran-2-yl)-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 106693326
N-[(5-chlorofuran-2-yl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 106684318
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(5-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302974

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine (CID 106684326) is N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)c1ccc(OC)cc1F.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is MZCQFBKDISRGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2/c1-3-8-18-15(13-6-7-14(16)20-13)11-5-4-10(19-2)9-12(11)17/h4-7,9,15,18H,3,8H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine?
N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 297.76 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106684326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).