N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine

C18H24BrNS — CID 79424142

IUPACN-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
SMILESCc1ccccc1C(CNC(C)(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C18H24BrNS/c1-13-7-5-6-8-16(13)14(12-20-18(2,3)4)11-15-9-10-17(19)21-15/h5-10,14,20H,11-12H2,1-4H3
InChIKeyWVXSUNVPCSPPDH-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.53
Rot. Bonds5

About N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine

N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine (PubChem CID 79424142) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
PubChem CID79424142
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC NameN-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
SMILESCc1ccccc1C(CNC(C)(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C18H24BrNS/c1-13-7-5-6-8-16(13)14(12-20-18(2,3)4)11-15-9-10-17(19)21-15/h5-10,14,20H,11-12H2,1-4H3
InChIKeyWVXSUNVPCSPPDH-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propan-1-ol
CID 79420784
2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979445
N-[3-(furan-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79421182
2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
CID 63496730
N-tert-butyl-2-(2-methylphenyl)pentan-1-amine
CID 79420694
N-tert-butyl-4-methyl-2-(2-methylphenyl)pentan-1-amine
CID 79421586
3-(5-ethylthiophen-2-yl)-2-(2-methylphenyl)-N-propylpropan-1-amine
CID 79424300
2-methyl-N-[2-(2-methylphenyl)-3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82870120
N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 65431365
N-[2-(2-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79448849
N-tert-butyl-5-ethoxy-2-(2-methylphenyl)pentan-1-amine
CID 79420861
2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63521943

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine (CID 79424142) is N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine is Cc1ccccc1C(CNC(C)(C)C)Cc1ccc(Br)s1.
What is the InChIKey of N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine?
The InChIKey is WVXSUNVPCSPPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-13-7-5-6-8-16(13)14(12-20-18(2,3)4)11-15-9-10-17(19)21-15/h5-10,14,20H,11-12H2,1-4H3.
What are the key properties of N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine?
N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine has a molecular weight of 366.37 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79424142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).