(4-butylphenyl)-thiophen-2-ylmethanamine

C15H19NS — CID 4962878

IUPAC(4-butylphenyl)-thiophen-2-ylmethanamine
SMILESCCCCc1ccc(C(N)c2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-2-3-5-12-7-9-13(10-8-12)15(16)14-6-4-11-17-14/h4,6-11,15H,2-3,5,16H2,1H3
InChIKeyIGBPAJWKBSRXCL-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.14
Rot. Bonds5

About (4-butylphenyl)-thiophen-2-ylmethanamine

(4-butylphenyl)-thiophen-2-ylmethanamine (PubChem CID 4962878) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (4-butylphenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(4-butylphenyl)-thiophen-2-ylmethanamine
PubChem CID4962878
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(4-butylphenyl)-thiophen-2-ylmethanamine
SMILESCCCCc1ccc(C(N)c2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-2-3-5-12-7-9-13(10-8-12)15(16)14-6-4-11-17-14/h4,6-11,15H,2-3,5,16H2,1H3
InChIKeyIGBPAJWKBSRXCL-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-propylphenyl)-thiophen-2-ylmethanamine
CID 7129560
(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine
CID 107960521
4-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43769722
1-benzothiophen-3-yl-(4-butylphenyl)methanamine
CID 63523268
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
4-butyl-N-(1-thiophen-2-ylpentyl)aniline
CID 89492358
(3-butyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285006
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8993631
1-(4-butylphenyl)-N-(1H-pyrazol-5-ylmethyl)-1-thiophen-2-ylmethanamine
CID 119109846
1-(4-propylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105144372
(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (4-butylphenyl)-thiophen-2-ylmethanamine (CID 4962878) is (4-butylphenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (4-butylphenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (4-butylphenyl)-thiophen-2-ylmethanamine is CCCCc1ccc(C(N)c2cccs2)cc1.
What is the InChIKey of (4-butylphenyl)-thiophen-2-ylmethanamine?
The InChIKey is IGBPAJWKBSRXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-2-3-5-12-7-9-13(10-8-12)15(16)14-6-4-11-17-14/h4,6-11,15H,2-3,5,16H2,1H3.
What are the key properties of (4-butylphenyl)-thiophen-2-ylmethanamine?
(4-butylphenyl)-thiophen-2-ylmethanamine has a molecular weight of 245.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 4962878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).