N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine

C14H16ClNO — CID 106886897

IUPACN-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1ccccc1Cl
InChIInChI=1S/C14H16ClNO/c1-10(2)16-9-14-12(7-8-17-14)11-5-3-4-6-13(11)15/h3-8,10,16H,9H2,1-2H3
InChIKeyKEGCWPSSDTZAAA-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.10
Rot. Bonds4

About N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine

N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106886897) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID106886897
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC NameN-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1occc1-c1ccccc1Cl
InChIInChI=1S/C14H16ClNO/c1-10(2)16-9-14-12(7-8-17-14)11-5-3-4-6-13(11)15/h3-8,10,16H,9H2,1-2H3
InChIKeyKEGCWPSSDTZAAA-UHFFFAOYSA-N
XLogP4.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 106887009
N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
CID 54910961
N-[[3-(7-chloro-1-benzofuran-2-yl)furan-2-yl]methyl]propan-2-amine
CID 106888206
N-[[3-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887918
N-[[3-(2-methylthiophen-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106888284
N-[[3-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888680
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)furan-2-yl]methyl]propan-2-amine
CID 106888217
N-[(3-isoquinolin-8-ylfuran-2-yl)methyl]propan-2-amine
CID 106888298
N-[(3-pyrimidin-5-ylfuran-2-yl)methyl]propan-2-amine
CID 106887002
N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
N-[[3-(3-fluoro-4-pyridinyl)furan-2-yl]methyl]propan-2-amine
CID 106887993
N,N-dimethyl-4-[2-[(propan-2-ylamino)methyl]furan-3-yl]aniline
CID 106886715

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine (CID 106886897) is N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine is CC(C)NCc1occc1-c1ccccc1Cl.
What is the InChIKey of N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is KEGCWPSSDTZAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10(2)16-9-14-12(7-8-17-14)11-5-3-4-6-13(11)15/h3-8,10,16H,9H2,1-2H3.
What are the key properties of N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine?
N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 249.74 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106886897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).