[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride

C15H20ClNS — CID 126766313

IUPAC[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
SMILESCC(C)Cc1ccc(C(N)c2cccs2)cc1.Cl
InChIInChI=1S/C15H19NS.ClH/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;1H
InChIKeyRCNAKJQKIAXOGW-UHFFFAOYSA-N
MW281.85 g/mol
LogP4.42
Rot. Bonds4

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

[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 126766313) has the molecular formula C15H20ClNS and a molecular weight of 281.85 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
PubChem CID126766313
Molecular FormulaC15H20ClNS
Molecular Weight281.85 g/mol
Exact Mass281.10
IUPAC Name[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
SMILESCC(C)Cc1ccc(C(N)c2cccs2)cc1.Cl
InChIInChI=1S/C15H19NS.ClH/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;1H
InChIKeyRCNAKJQKIAXOGW-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(Thiophen-2-yl)phenyl]methanamine
CID 2776332
(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
N-Methyl-N-(3-thien-2-ylbenzyl)amine
CID 18525772
N-(4-methylbenzyl)-N'-(2-thienylmethyl)sulfamide
CID 1475434

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride (CID 126766313) is [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride is CC(C)Cc1ccc(C(N)c2cccs2)cc1.Cl.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is RCNAKJQKIAXOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS.ClH/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;1H.
What are the key properties of [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride?
[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 281.85 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 126766313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).