(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine

C15H19NS — CID 7129488

IUPAC(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine
SMILESCC(C)Cc1ccc([C@@H](N)c2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-11(2)10-12-5-7-13(8-6-12)15(16)14-4-3-9-17-14/h3-9,11,15H,10,16H2,1-2H3/t15-/m1/s1
InChIKeyQDEDRANLVGQQSO-OAHLLOKOSA-N
MW245.39 g/mol
LogP3.99
Rot. Bonds4

About (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine

(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine (PubChem CID 7129488) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine
PubChem CID7129488
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine
SMILESCC(C)Cc1ccc([C@@H](N)c2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-11(2)10-12-5-7-13(8-6-12)15(16)14-4-3-9-17-14/h3-9,11,15H,10,16H2,1-2H3/t15-/m1/s1
InChIKeyQDEDRANLVGQQSO-OAHLLOKOSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
Tifacogin
CID 961320
(5-Phenylthiophen-2-yl)methanamine
CID 11993875
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
1-(1-(Thiophen-2-yl)cyclohexyl)ethanamine
CID 24860900
N-Methyl-N-(3-thien-3-ylbenzyl)amine
CID 18525825
2-Methyl-1-thiophen-2-yl-propylamine
CID 3159240
[3-(Thiophen-3-yl)phenyl]methanamine
CID 19916941

Frequently Asked Questions

What is the IUPAC name of (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine?
The IUPAC name of (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine (CID 7129488) is (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine.
What is the SMILES notation for (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine?
The canonical SMILES for (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine is CC(C)Cc1ccc([C@@H](N)c2cccs2)cc1.
What is the InChIKey of (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine?
The InChIKey is QDEDRANLVGQQSO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19NS/c1-11(2)10-12-5-7-13(8-6-12)15(16)14-4-3-9-17-14/h3-9,11,15H,10,16H2,1-2H3/t15-/m1/s1.
What are the key properties of (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine?
(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine has a molecular weight of 245.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 7129488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).