N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine

C11H15BrClNS — CID 115757558

IUPACN-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClNS/c1-8(15-2)6-14-7-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyHPOSBGGYERAYCQ-UHFFFAOYSA-N
MW308.67 g/mol
LogP3.94
Rot. Bonds5

About N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine

N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine (PubChem CID 115757558) has the molecular formula C11H15BrClNS and a molecular weight of 308.67 g/mol. Its IUPAC name is N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine
PubChem CID115757558
Molecular FormulaC11H15BrClNS
Molecular Weight308.67 g/mol
Exact Mass306.98
IUPAC NameN-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine
SMILESCSC(C)CNCc1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClNS/c1-8(15-2)6-14-7-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
InChIKeyHPOSBGGYERAYCQ-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-chlorophenyl)methyl]-2-methoxypropan-1-amine
CID 102795107
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-difluoroethanamine
CID 115406997
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764019
N-[(2-chloro-4-methylphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 106863169
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 113466393
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757713
2-[[(5-bromo-2-chlorophenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073184
N-[(5-bromo-2-chlorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588161
1-(5-bromo-2-chlorophenyl)-N-methylmethanamine;hydrochloride
CID 155822080
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylprop-2-en-1-amine
CID 102673478
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757641
3-N-[(5-bromo-2-chlorophenyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 103792822

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine (CID 115757558) is N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine is CSC(C)CNCc1cc(Br)ccc1Cl.
What is the InChIKey of N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
The InChIKey is HPOSBGGYERAYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNS/c1-8(15-2)6-14-7-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine?
N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine has a molecular weight of 308.67 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-chlorophenyl)methyl]-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115757558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).