(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine

C17H23NS — CID 79985784

IUPAC(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine
SMILESCCc1ccsc1C(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H23NS/c1-4-14-9-10-19-17(14)16(18)15-7-5-13(6-8-15)11-12(2)3/h5-10,12,16H,4,11,18H2,1-3H3
InChIKeyDRLIUQPDHGYYNM-UHFFFAOYSA-N
MW273.44 g/mol
LogP4.56
Rot. Bonds5

About (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine

(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine (PubChem CID 79985784) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine
PubChem CID79985784
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine
SMILESCCc1ccsc1C(N)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H23NS/c1-4-14-9-10-19-17(14)16(18)15-7-5-13(6-8-15)11-12(2)3/h5-10,12,16H,4,11,18H2,1-3H3
InChIKeyDRLIUQPDHGYYNM-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylthiophen-2-yl)-(4-methylphenyl)methanamine
CID 79985619
(3-ethylthiophen-2-yl)-(4-phenylphenyl)methanamine
CID 79972493
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
(3-ethylthiophen-2-yl)-thiophen-3-ylmethanamine
CID 104988308
(3-ethylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105018973
(4-chloro-3-methoxyphenyl)-(3-ethylthiophen-2-yl)methanamine
CID 105006834
[4-(2-methylpropyl)phenyl]-phenylmethanamine
CID 43198176
ethane;3-ethyl-2-propan-2-ylthiophene
CID 153374658
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[4-(2-methylpropyl)phenyl]-(3-methylthiophen-2-yl)methanol
CID 61099824
1-(3-ethylthiophen-2-yl)-2-phenylethanol
CID 79975807
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine (CID 79985784) is (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine is CCc1ccsc1C(N)c1ccc(CC(C)C)cc1.
What is the InChIKey of (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine?
The InChIKey is DRLIUQPDHGYYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS/c1-4-14-9-10-19-17(14)16(18)15-7-5-13(6-8-15)11-12(2)3/h5-10,12,16H,4,11,18H2,1-3H3.
What are the key properties of (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine?
(3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine has a molecular weight of 273.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-[4-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 79985784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).