2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine

C18H24BrNS — CID 63521943

IUPAC2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccccc1CC(CNC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C18H24BrNS/c1-13(2)20-12-15(11-17-8-9-18(19)21-17)10-16-7-5-4-6-14(16)3/h4-9,13,15,20H,10-12H2,1-3H3
InChIKeyGZZWSNCTVFXHIV-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.22
Rot. Bonds7

About 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine

2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 63521943) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
PubChem CID63521943
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC Name2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
SMILESCc1ccccc1CC(CNC(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C18H24BrNS/c1-13(2)20-12-15(11-17-8-9-18(19)21-17)10-16-7-5-4-6-14(16)3/h4-9,13,15,20H,10-12H2,1-3H3
InChIKeyGZZWSNCTVFXHIV-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 103984383
2-[(2-methylphenyl)methyl]-N-propan-2-yl-4-propan-2-yloxybutan-1-amine
CID 62516134
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551
1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
CID 105134771
4-(5-bromothiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018832
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
CID 63496730
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
CID 63523373
1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763036
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
N-[3-(5-bromothiophen-2-yl)-2-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79424142
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 43677455

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine (CID 63521943) is 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine is Cc1ccccc1CC(CNC(C)C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is GZZWSNCTVFXHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-13(2)20-12-15(11-17-8-9-18(19)21-17)10-16-7-5-4-6-14(16)3/h4-9,13,15,20H,10-12H2,1-3H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine?
2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 366.37 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl]-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63521943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).