2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine

C18H24BrNS — CID 63496906

IUPAC2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(Cc1ccccc1)Cc1cc(Br)cs1
InChIInChI=1S/C18H24BrNS/c1-14(2)11-20-12-16(8-15-6-4-3-5-7-15)9-18-10-17(19)13-21-18/h3-7,10,13-14,16,20H,8-9,11-12H2,1-2H3
InChIKeyWMOVQCIDHOTWRO-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.16
Rot. Bonds8

About 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine

2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine (PubChem CID 63496906) has the molecular formula C18H24BrNS and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
PubChem CID63496906
Molecular FormulaC18H24BrNS
Molecular Weight366.37 g/mol
Exact Mass365.08
IUPAC Name2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(Cc1ccccc1)Cc1cc(Br)cs1
InChIInChI=1S/C18H24BrNS/c1-14(2)11-20-12-16(8-15-6-4-3-5-7-15)9-18-10-17(19)13-21-18/h3-7,10,13-14,16,20H,8-9,11-12H2,1-2H3
InChIKeyWMOVQCIDHOTWRO-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
2-benzyl-N-(2-methylpropyl)-3-trimethylsilylpropan-1-amine
CID 106323109
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515968
2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 63496197
2-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979377
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63521934
2-[(4-bromophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63522949
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine (CID 63496906) is 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(Cc1ccccc1)Cc1cc(Br)cs1.
What is the InChIKey of 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is WMOVQCIDHOTWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNS/c1-14(2)11-20-12-16(8-15-6-4-3-5-7-15)9-18-10-17(19)13-21-18/h3-7,10,13-14,16,20H,8-9,11-12H2,1-2H3.
What are the key properties of 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine?
2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 366.37 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 63496906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).