2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine

C15H25BrClNS — CID 65005028

IUPAC2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H25BrClNS/c1-4-8-15(11-16,9-5-2)12-18(3)10-13-6-7-14(17)19-13/h6-7H,4-5,8-12H2,1-3H3
InChIKeyYOCQPHSCGPZDCL-UHFFFAOYSA-N
MW366.80 g/mol
LogP5.81
Rot. Bonds9

About 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine

2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine (PubChem CID 65005028) has the molecular formula C15H25BrClNS and a molecular weight of 366.80 g/mol. Its IUPAC name is 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine
PubChem CID65005028
Molecular FormulaC15H25BrClNS
Molecular Weight366.80 g/mol
Exact Mass365.06
IUPAC Name2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C15H25BrClNS/c1-4-8-15(11-16,9-5-2)12-18(3)10-13-6-7-14(17)19-13/h6-7H,4-5,8-12H2,1-3H3
InChIKeyYOCQPHSCGPZDCL-UHFFFAOYSA-N
XLogP5.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.80
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylpentanoic acid
CID 62272699
N-[(5-chlorothiophen-2-yl)methyl]-2,2-diethyl-N-methyl-N'-propylpropane-1,3-diamine
CID 63494592
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
CID 63705419
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[(5-chlorothiophen-2-yl)methyl]-N,2,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62256088
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193847
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
N'-[(5-chlorothiophen-2-yl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253875
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N,3,3-trimethylbutane-1,2-diamine
CID 112555955

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine (CID 65005028) is 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine is CCCC(CBr)(CCC)CN(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine?
The InChIKey is YOCQPHSCGPZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrClNS/c1-4-8-15(11-16,9-5-2)12-18(3)10-13-6-7-14(17)19-13/h6-7H,4-5,8-12H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine?
2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine has a molecular weight of 366.80 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 65005028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).