1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine

C18H25NO — CID 114733478

IUPAC1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cc2cccc(C)c2o1)C1CC1
InChIInChI=1S/C18H25NO/c1-3-11-19-17(14-7-8-14)10-9-16-12-15-6-4-5-13(2)18(15)20-16/h4-6,12,14,17,19H,3,7-11H2,1-2H3
InChIKeyQPABMDKTDMRUDY-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.45
Rot. Bonds7

About 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine

1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine (PubChem CID 114733478) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
PubChem CID114733478
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cc2cccc(C)c2o1)C1CC1
InChIInChI=1S/C18H25NO/c1-3-11-19-17(14-7-8-14)10-9-16-12-15-6-4-5-13(2)18(15)20-16/h4-6,12,14,17,19H,3,7-11H2,1-2H3
InChIKeyQPABMDKTDMRUDY-UHFFFAOYSA-N
XLogP4.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
1-cyclopropyl-3-(2,3-difluoro-4-methylphenyl)-N-propylpropan-1-amine
CID 107514366
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508
2-(2-chloroethyl)-7-methyl-1-benzofuran
CID 114732789
N-[1,4-dithian-2-yl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114729996
N-[(7-methyl-1-benzofuran-2-yl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 105045696
2-ethoxy-2-methyl-1-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 114731309
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
1-cyclopropyl-3-(3-nitrophenyl)-N-propylpropan-1-amine
CID 63355258
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
3-(2-chloro-6-fluorophenyl)-1-cyclopropyl-N-propylpropan-1-amine
CID 63355212
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine (CID 114733478) is 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine is CCCNC(CCc1cc2cccc(C)c2o1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
The InChIKey is QPABMDKTDMRUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-11-19-17(14-7-8-14)10-9-16-12-15-6-4-5-13(2)18(15)20-16/h4-6,12,14,17,19H,3,7-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine?
1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(7-methyl-1-benzofuran-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114733478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).