N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine

C14H15BrClNS — CID 43677455

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1Cl)NCc1ccc(Br)s1
InChIInChI=1S/C14H15BrClNS/c1-10(8-11-4-2-3-5-13(11)16)17-9-12-6-7-14(15)18-12/h2-7,10,17H,8-9H2,1H3
InChIKeyURLNDQRLRXYCFQ-UHFFFAOYSA-N
MW344.71 g/mol
LogP4.88
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine

N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine (PubChem CID 43677455) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
PubChem CID43677455
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
SMILESCC(Cc1ccccc1Cl)NCc1ccc(Br)s1
InChIInChI=1S/C14H15BrClNS/c1-10(8-11-4-2-3-5-13(11)16)17-9-12-6-7-14(15)18-12/h2-7,10,17H,8-9H2,1H3
InChIKeyURLNDQRLRXYCFQ-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 115592294
N-[(5-bromothiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012083
(1S)-N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 28649363
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
CID 63428003
(2S)-2-[(5-bromothiophen-2-yl)methylamino]propan-1-ol
CID 93082561
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
4-[2-[(5-bromothiophen-2-yl)methylamino]propyl]phenol
CID 78943406
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
4-bromo-2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 107737675
(2S)-N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 28833502
N-[(5-bromothiophen-2-yl)methyl]-3-methylbutan-2-amine
CID 20748992
N-[(5-bromothiophen-2-yl)methyl]heptan-2-amine
CID 43399889

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine (CID 43677455) is N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine is CC(Cc1ccccc1Cl)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine?
The InChIKey is URLNDQRLRXYCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-10(8-11-4-2-3-5-13(11)16)17-9-12-6-7-14(15)18-12/h2-7,10,17H,8-9H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine has a molecular weight of 344.71 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine is sourced from PubChem (CID 43677455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).