1-benzothiophen-3-yl-(4-butylphenyl)methanamine

C19H21NS — CID 63523268

IUPAC1-benzothiophen-3-yl-(4-butylphenyl)methanamine
SMILESCCCCc1ccc(C(N)c2csc3ccccc23)cc1
InChIInChI=1S/C19H21NS/c1-2-3-6-14-9-11-15(12-10-14)19(20)17-13-21-18-8-5-4-7-16(17)18/h4-5,7-13,19H,2-3,6,20H2,1H3
InChIKeyUCTAEGHIMILTLW-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.29
Rot. Bonds5

About 1-benzothiophen-3-yl-(4-butylphenyl)methanamine

1-benzothiophen-3-yl-(4-butylphenyl)methanamine (PubChem CID 63523268) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(4-butylphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(4-butylphenyl)methanamine
PubChem CID63523268
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name1-benzothiophen-3-yl-(4-butylphenyl)methanamine
SMILESCCCCc1ccc(C(N)c2csc3ccccc23)cc1
InChIInChI=1S/C19H21NS/c1-2-3-6-14-9-11-15(12-10-14)19(20)17-13-21-18-8-5-4-7-16(17)18/h4-5,7-13,19H,2-3,6,20H2,1H3
InChIKeyUCTAEGHIMILTLW-UHFFFAOYSA-N
XLogP5.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)phenyl]-(1-benzothiophen-3-yl)methanamine
CID 116937094
4-[amino(1-benzothiophen-3-yl)methyl]-N-methylaniline
CID 116936917
1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 43150849
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878
(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine
CID 107960521
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
3-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-1-benzothiophene
CID 63437601
(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43464336
1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400623
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
3-(1-bromo-2-ethylhexyl)-1-benzothiophene
CID 63441043
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
CID 43629735

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(4-butylphenyl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(4-butylphenyl)methanamine (CID 63523268) is 1-benzothiophen-3-yl-(4-butylphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(4-butylphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(4-butylphenyl)methanamine is CCCCc1ccc(C(N)c2csc3ccccc23)cc1.
What is the InChIKey of 1-benzothiophen-3-yl-(4-butylphenyl)methanamine?
The InChIKey is UCTAEGHIMILTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-2-3-6-14-9-11-15(12-10-14)19(20)17-13-21-18-8-5-4-7-16(17)18/h4-5,7-13,19H,2-3,6,20H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(4-butylphenyl)methanamine?
1-benzothiophen-3-yl-(4-butylphenyl)methanamine has a molecular weight of 295.45 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(4-butylphenyl)methanamine is sourced from PubChem (CID 63523268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).