N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine

C15H18BrNS — CID 63464320

IUPACN-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H18BrNS/c1-12(2)17(9-13-6-4-3-5-7-13)10-15-8-14(16)11-18-15/h3-8,11-12H,9-10H2,1-2H3
InChIKeyGMQQRBSANMSBLH-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.92
Rot. Bonds5

About N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine

N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine (PubChem CID 63464320) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
PubChem CID63464320
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC NameN-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1cc(Br)cs1
InChIInChI=1S/C15H18BrNS/c1-12(2)17(9-13-6-4-3-5-7-13)10-15-8-14(16)11-18-15/h3-8,11-12H,9-10H2,1-2H3
InChIKeyGMQQRBSANMSBLH-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-[1-(4-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 107365176
N-benzyl-N-[(3-bromo-4-methoxyphenyl)methyl]propan-2-amine
CID 60688895
N-[(4-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010902
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
2-benzyl-3-(4-bromothiophen-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63496906
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
1-N-[(4-bromothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55017742
N-[(4-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 54942400
3-[[(4-bromophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460270
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
N-[(4-bromothiophen-2-yl)methyl]-1-phenylmethanamine
CID 4792507
2-(benzylsulfanylmethyl)-4-bromothiophene
CID 55220268

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine (CID 63464320) is N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine is CC(C)N(Cc1ccccc1)Cc1cc(Br)cs1.
What is the InChIKey of N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine?
The InChIKey is GMQQRBSANMSBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-12(2)17(9-13-6-4-3-5-7-13)10-15-8-14(16)11-18-15/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine?
N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine has a molecular weight of 324.29 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(4-bromothiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 63464320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).