1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine

C18H25NO — CID 105177408

IUPAC1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(C)cc1)Cc1ccco1
InChIInChI=1S/C18H25NO/c1-3-12-19-17(14-18-5-4-13-20-18)11-10-16-8-6-15(2)7-9-16/h4-9,13,17,19H,3,10-12,14H2,1-2H3
InChIKeyGJYWCUYVNIZKNY-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.13
Rot. Bonds8

About 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine

1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine (PubChem CID 105177408) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
PubChem CID105177408
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(C)cc1)Cc1ccco1
InChIInChI=1S/C18H25NO/c1-3-12-19-17(14-18-5-4-13-20-18)11-10-16-8-6-15(2)7-9-16/h4-9,13,17,19H,3,10-12,14H2,1-2H3
InChIKeyGJYWCUYVNIZKNY-UHFFFAOYSA-N
XLogP4.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
1-(furan-2-yl)-N-propyldodecan-3-amine
CID 105124522
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
1-(furan-2-yl)-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 83175059
4-(furan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169314
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
1-cycloheptyl-3-(furan-2-yl)-N-propylpropan-2-amine
CID 105029141

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine?
The IUPAC name of 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine (CID 105177408) is 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine is CCCNC(CCc1ccc(C)cc1)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine?
The InChIKey is GJYWCUYVNIZKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-12-19-17(14-18-5-4-13-20-18)11-10-16-8-6-15(2)7-9-16/h4-9,13,17,19H,3,10-12,14H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine?
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine has a molecular weight of 271.40 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 105177408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).