N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine

C19H27NO — CID 65440443

IUPACN-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(C)ccc(C(C)C)c2o1)C1CC1
InChIInChI=1S/C19H27NO/c1-5-10-20-18(14-7-8-14)17-11-16-13(4)6-9-15(12(2)3)19(16)21-17/h6,9,11-12,14,18,20H,5,7-8,10H2,1-4H3
InChIKeyBKAIMUTXAOEFIP-UHFFFAOYSA-N
MW285.43 g/mol
LogP5.32
Rot. Bonds6

About N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine

N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 65440443) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID65440443
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2c(C)ccc(C(C)C)c2o1)C1CC1
InChIInChI=1S/C19H27NO/c1-5-10-20-18(14-7-8-14)17-11-16-13(4)6-9-15(12(2)3)19(16)21-17/h6,9,11-12,14,18,20H,5,7-8,10H2,1-4H3
InChIKeyBKAIMUTXAOEFIP-UHFFFAOYSA-N
XLogP5.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4,6-dimethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 65440428
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495555
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
1-(7-methyl-4-propan-2-yl-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440223
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
N-[cyclopropyl-(2,4-dibromophenyl)methyl]propan-1-amine
CID 107946084
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2-chloro-4,5-dimethylphenyl)-cyclopropylmethyl]propan-1-amine
CID 113319474
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 65440443) is N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNC(c1cc2c(C)ccc(C(C)C)c2o1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is BKAIMUTXAOEFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-5-10-20-18(14-7-8-14)17-11-16-13(4)6-9-15(12(2)3)19(16)21-17/h6,9,11-12,14,18,20H,5,7-8,10H2,1-4H3.
What are the key properties of N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65440443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).