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

C15H18ClNO — CID 107626763

IUPAC1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cc(C)ccc2Cl)o1
InChIInChI=1S/C15H18ClNO/c1-10-4-6-14(16)13(8-10)15-7-5-12(18-15)9-11(2)17-3/h4-8,11,17H,9H2,1-3H3
InChIKeyFLMJXUWAFUEQQQ-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.06
Rot. Bonds4

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

1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 107626763) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID107626763
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cc(C)ccc2Cl)o1
InChIInChI=1S/C15H18ClNO/c1-10-4-6-14(16)13(8-10)15-7-5-12(18-15)9-11(2)17-3/h4-8,11,17H,9H2,1-3H3
InChIKeyFLMJXUWAFUEQQQ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63086331
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085274
1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085456
1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084095
1-[5-[4-chloro-2-(trifluoromethyl)phenyl]furan-2-yl]-N-methylpropan-2-amine
CID 63084101
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
CID 63398766
1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 81287175
1-[5-(2-chloro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 43624782
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181893
N-methyl-1-(5-quinolin-8-ylfuran-2-yl)propan-2-amine
CID 63085974

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine (CID 107626763) is 1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2cc(C)ccc2Cl)o1.
What is the InChIKey of 1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is FLMJXUWAFUEQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-10-4-6-14(16)13(8-10)15-7-5-12(18-15)9-11(2)17-3/h4-8,11,17H,9H2,1-3H3.
What are the key properties of 1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 107626763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).