N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine

C11H15BrClN — CID 115598263

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-3-6-14(2)8-9-4-5-10(12)7-11(9)13/h4-5,7H,3,6,8H2,1-2H3
InChIKeyVXDGNMMODWFRSH-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.94
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine

N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 115598263) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
PubChem CID115598263
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-3-6-14(2)8-9-4-5-10(12)7-11(9)13/h4-5,7H,3,6,8H2,1-2H3
InChIKeyVXDGNMMODWFRSH-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-[(4-bromo-2-chlorophenyl)methyl-methylamino]propanoate
CID 115605565
N'-[(4-bromo-2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409121
2-[(4-bromo-2-chlorophenyl)methyl-propylamino]acetonitrile
CID 115598248
N'-[(4-bromo-2-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409176
N-[(2,4-dichlorophenyl)methyl]-N-methylbutan-1-amine
CID 5150681
N-[(4-bromo-2-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 113471342
1-(4-bromo-2-chlorophenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 115598217
3-[(4-bromo-2-chlorophenyl)methyl-methylamino]-2-methylpropanethioamide
CID 113470998
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 113471328
2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 48935476
N-[(4-bromo-2-fluorophenyl)methyl]-2-chloro-N-methylethanamine
CID 63386609

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine (CID 115598263) is N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine is CCCN(C)Cc1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is VXDGNMMODWFRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-3-6-14(2)8-9-4-5-10(12)7-11(9)13/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine?
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 276.60 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115598263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).