N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine

C15H18BrNOS — CID 114782979

IUPACN-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine
SMILESBrc1ccc(COCCCNCc2ccccc2)s1
InChIInChI=1S/C15H18BrNOS/c16-15-8-7-14(19-15)12-18-10-4-9-17-11-13-5-2-1-3-6-13/h1-3,5-8,17H,4,9-12H2
InChIKeyYOPNLPKMNPGDGV-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.21
Rot. Bonds8

About N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine

N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine (PubChem CID 114782979) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine
PubChem CID114782979
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine
SMILESBrc1ccc(COCCCNCc2ccccc2)s1
InChIInChI=1S/C15H18BrNOS/c16-15-8-7-14(19-15)12-18-10-4-9-17-11-13-5-2-1-3-6-13/h1-3,5-8,17H,4,9-12H2
InChIKeyYOPNLPKMNPGDGV-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]propan-1-amine
CID 114783024
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
3-[3-(benzylamino)propoxymethyl]phenol
CID 114782855
N-benzyl-3-(1,2-oxazol-5-ylmethoxy)propan-1-amine
CID 114783023
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
2-bromo-5-(octoxymethyl)thiophene
CID 63457717
N-benzyl-2-(furan-2-ylmethoxy)ethanamine
CID 62564992
N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 115213054
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-benzyl-3-(2-methylsulfonylethoxy)propan-1-amine
CID 114782832
N-benzyl-3-[(2,3-dichlorophenyl)methoxy]propan-1-amine
CID 107307020
4-[3-(benzylamino)propoxy]butanenitrile
CID 114782907

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine?
The IUPAC name of N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine (CID 114782979) is N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine.
What is the SMILES notation for N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine?
The canonical SMILES for N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine is Brc1ccc(COCCCNCc2ccccc2)s1.
What is the InChIKey of N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine?
The InChIKey is YOPNLPKMNPGDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c16-15-8-7-14(19-15)12-18-10-4-9-17-11-13-5-2-1-3-6-13/h1-3,5-8,17H,4,9-12H2.
What are the key properties of N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine?
N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine has a molecular weight of 340.29 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(5-bromothiophen-2-yl)methoxy]propan-1-amine is sourced from PubChem (CID 114782979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).