4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C18H25NS — CID 43769722

IUPAC4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCCCCc1ccc(NC(c2cccs2)C(C)C)cc1
InChIInChI=1S/C18H25NS/c1-4-5-7-15-9-11-16(12-10-15)19-18(14(2)3)17-8-6-13-20-17/h6,8-14,18-19H,4-5,7H2,1-3H3
InChIKeyHAGBHNYOIKFGKO-UHFFFAOYSA-N
MW287.47 g/mol
LogP5.90
Rot. Bonds7

About 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 43769722) has the molecular formula C18H25NS and a molecular weight of 287.47 g/mol. Its IUPAC name is 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID43769722
Molecular FormulaC18H25NS
Molecular Weight287.47 g/mol
Exact Mass287.17
IUPAC Name4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCCCCc1ccc(NC(c2cccs2)C(C)C)cc1
InChIInChI=1S/C18H25NS/c1-4-5-7-15-9-11-16(12-10-15)19-18(14(2)3)17-8-6-13-20-17/h6,8-14,18-19H,4-5,7H2,1-3H3
InChIKeyHAGBHNYOIKFGKO-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.47
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(1-thiophen-2-ylpentyl)aniline
CID 89492358
4-[(dimethylamino)methyl]-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43791361
(4-butylphenyl)-thiophen-2-ylmethanamine
CID 4962878
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzonitrile
CID 43763766
N-ethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]benzamide
CID 43787656
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N-(2-methyl-1-thiophen-2-ylpropyl)undecan-6-amine
CID 63448004
2-[4-[(2-methyl-1-thiophen-2-ylpropyl)amino]phenoxy]acetonitrile
CID 43767915
1-ethyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridin-2-one
CID 54864039
3,5-difluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765004
4-N-(2-methyl-1-thiophen-2-ylpropyl)-2-propoxybenzene-1,4-diamine
CID 63675669
3,4,5-trifluoro-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 62810348

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 43769722) is 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is CCCCc1ccc(NC(c2cccs2)C(C)C)cc1.
What is the InChIKey of 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is HAGBHNYOIKFGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS/c1-4-5-7-15-9-11-16(12-10-15)19-18(14(2)3)17-8-6-13-20-17/h6,8-14,18-19H,4-5,7H2,1-3H3.
What are the key properties of 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 287.47 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 43769722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).