1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine

C17H23NO — CID 83175808

IUPAC1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccoc1)Cc1cccc(C)c1
InChIInChI=1S/C17H23NO/c1-3-8-18-17(12-16-7-9-19-13-16)11-15-6-4-5-14(2)10-15/h4-7,9-10,13,17-18H,3,8,11-12H2,1-2H3
InChIKeyCEYIOYGSJMDNPJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.74
Rot. Bonds7

About 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine

1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine (PubChem CID 83175808) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
PubChem CID83175808
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccoc1)Cc1cccc(C)c1
InChIInChI=1S/C17H23NO/c1-3-8-18-17(12-16-7-9-19-13-16)11-15-6-4-5-14(2)10-15/h4-7,9-10,13,17-18H,3,8,11-12H2,1-2H3
InChIKeyCEYIOYGSJMDNPJ-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
CID 62235336
[1-(furan-3-yl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105331898
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
4-(furan-3-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 83182973
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
N-ethyl-1-(furan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 83178380
1-cycloheptyl-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 114458153
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine (CID 83175808) is 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccoc1)Cc1cccc(C)c1.
What is the InChIKey of 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine?
The InChIKey is CEYIOYGSJMDNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-8-18-17(12-16-7-9-19-13-16)11-15-6-4-5-14(2)10-15/h4-7,9-10,13,17-18H,3,8,11-12H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine?
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 83175808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).