(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine

C15H19NS — CID 65105067

IUPAC(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C15H19NS/c1-10(2)12-4-6-13(7-5-12)15(16)14-8-11(3)17-9-14/h4-10,15H,16H2,1-3H3
InChIKeyNWXJZFOHERBWIY-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.23
Rot. Bonds3

About (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine

(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine (PubChem CID 65105067) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
PubChem CID65105067
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C15H19NS/c1-10(2)12-4-6-13(7-5-12)15(16)14-8-11(3)17-9-14/h4-10,15H,16H2,1-3H3
InChIKeyNWXJZFOHERBWIY-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 114330142
(2-chloro-4-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 106857827
(4-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
CID 55293890
(2-bromo-5-methylphenyl)-(5-methylthiophen-3-yl)methanamine
CID 104991668
2-(2,6-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104969
(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130747012
(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 130731435
(2-methoxyphenyl)-(5-methylthiophen-3-yl)methanamine
CID 65104269
(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanamine
CID 55164666

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine (CID 65105067) is (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine is Cc1cc(C(N)c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine?
The InChIKey is NWXJZFOHERBWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-10(2)12-4-6-13(7-5-12)15(16)14-8-11(3)17-9-14/h4-10,15H,16H2,1-3H3.
What are the key properties of (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine?
(5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine has a molecular weight of 245.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 65105067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).