N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine

C18H21NOS — CID 63001648

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCCCc1oc2ccccc2c1CNCc1ccsc1
InChIInChI=1S/C18H21NOS/c1-2-3-7-18-16(12-19-11-14-9-10-21-13-14)15-6-4-5-8-17(15)20-18/h4-6,8-10,13,19H,2-3,7,11-12H2,1H3
InChIKeyQCBUHNAQOPXDAL-UHFFFAOYSA-N
MW299.44 g/mol
LogP5.13
Rot. Bonds7

About N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 63001648) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID63001648
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCCCCc1oc2ccccc2c1CNCc1ccsc1
InChIInChI=1S/C18H21NOS/c1-2-3-7-18-16(12-19-11-14-9-10-21-13-14)15-6-4-5-8-17(15)20-18/h4-6,8-10,13,19H,2-3,7,11-12H2,1H3
InChIKeyQCBUHNAQOPXDAL-UHFFFAOYSA-N
XLogP5.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 82704691
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
3-[(2-butyl-1-benzofuran-3-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731518
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295422
N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
4-[2-(2-butyl-1-benzofuran-3-yl)ethyl]phenol
CID 23445648
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine (CID 63001648) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine is CCCCc1oc2ccccc2c1CNCc1ccsc1.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is QCBUHNAQOPXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-2-3-7-18-16(12-19-11-14-9-10-21-13-14)15-6-4-5-8-17(15)20-18/h4-6,8-10,13,19H,2-3,7,11-12H2,1H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 299.44 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 63001648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).