N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

C19H27NO — CID 114377188

IUPACN-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCCc1ccc2oc(CNCC(C)C)c(C3CC3)c2c1
InChIInChI=1S/C19H27NO/c1-4-5-14-6-9-17-16(10-14)19(15-7-8-15)18(21-17)12-20-11-13(2)3/h6,9-10,13,15,20H,4-5,7-8,11-12H2,1-3H3
InChIKeyKWNMHBLMVPILKC-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.01
Rot. Bonds7

About N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 114377188) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID114377188
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCCCc1ccc2oc(CNCC(C)C)c(C3CC3)c2c1
InChIInChI=1S/C19H27NO/c1-4-5-14-6-9-17-16(10-14)19(15-7-8-15)18(21-17)12-20-11-13(2)3/h6,9-10,13,15,20H,4-5,7-8,11-12H2,1-3H3
InChIKeyKWNMHBLMVPILKC-UHFFFAOYSA-N
XLogP5.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375390
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375397
N-[(4,6-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377035
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62417778
N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
CID 114376554
N-[(3-tert-butyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375396
1-(3-cyclopropyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-N-methylmethanamine
CID 114377164
N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377629
N-[(5-bromo-3-cyclopropyl-7-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377311
N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436157

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (CID 114377188) is N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is CCCc1ccc2oc(CNCC(C)C)c(C3CC3)c2c1.
What is the InChIKey of N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is KWNMHBLMVPILKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-5-14-6-9-17-16(10-14)19(15-7-8-15)18(21-17)12-20-11-13(2)3/h6,9-10,13,15,20H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114377188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).