1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine

C15H18ClNO — CID 62632916

IUPAC1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C15H18ClNO/c1-4-13(17-3)15-8-7-14(18-15)11-6-5-10(2)12(16)9-11/h5-9,13,17H,4H2,1-3H3
InChIKeyPDWXUMBADCIECR-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.58
Rot. Bonds4

About 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine

1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine (PubChem CID 62632916) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
PubChem CID62632916
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C15H18ClNO/c1-4-13(17-3)15-8-7-14(18-15)11-6-5-10(2)12(16)9-11/h5-9,13,17H,4H2,1-3H3
InChIKeyPDWXUMBADCIECR-UHFFFAOYSA-N
XLogP4.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
CID 114257852
1-[5-(4-chloro-3-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633284
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 107577112
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633115
1-[5-(4-bromo-3-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398685
N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine
CID 79778928
1-[5-(4-propan-2-ylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 63398585
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156647
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]heptan-1-amine;hydrochloride
CID 17057126
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
2-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65183235
2-[5-(3-chloro-4-methylphenyl)furan-2-yl]acetic acid
CID 82119352

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine (CID 62632916) is 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2ccc(C)c(Cl)c2)o1.
What is the InChIKey of 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine?
The InChIKey is PDWXUMBADCIECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-4-13(17-3)15-8-7-14(18-15)11-6-5-10(2)12(16)9-11/h5-9,13,17H,4H2,1-3H3.
What are the key properties of 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine?
1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 62632916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).