N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine

C17H23NO — CID 62499557

IUPACN-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccc(C)cc2C)o1
InChIInChI=1S/C17H23NO/c1-5-10-18-14(4)16-8-9-17(19-16)15-7-6-12(2)11-13(15)3/h6-9,11,14,18H,5,10H2,1-4H3
InChIKeyCQJZZIATGHOZMP-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.62
Rot. Bonds5

About N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine

N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine (PubChem CID 62499557) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine
PubChem CID62499557
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccc(C)cc2C)o1
InChIInChI=1S/C17H23NO/c1-5-10-18-14(4)16-8-9-17(19-16)15-7-6-12(2)11-13(15)3/h6-9,11,14,18H,5,10H2,1-4H3
InChIKeyCQJZZIATGHOZMP-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 55083630
N-[1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398504
N-[1-[5-(2-bromo-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398637
1-[5-(2,4-dimethylphenyl)furan-2-yl]propan-1-ol
CID 62633649
N-[1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 107577114
2,5-bis(2,4-dimethylphenyl)furan
CID 69007867
N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398850
N-[1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498590
N-[1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398964
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898
N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181758
N-[1-(5-quinolin-5-ylfuran-2-yl)ethyl]propan-1-amine
CID 62500349

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine (CID 62499557) is N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2ccc(C)cc2C)o1.
What is the InChIKey of N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine?
The InChIKey is CQJZZIATGHOZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-5-10-18-14(4)16-8-9-17(19-16)15-7-6-12(2)11-13(15)3/h6-9,11,14,18H,5,10H2,1-4H3.
What are the key properties of N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62499557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).