N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine

C11H16BrN — CID 60776921

IUPACN-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-3-8-13(2)9-10-6-4-5-7-11(10)12/h4-7H,3,8-9H2,1-2H3
InChIKeyPMDHILZFVKDKNU-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.29
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine

N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 60776921) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
PubChem CID60776921
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-3-8-13(2)9-10-6-4-5-7-11(10)12/h4-7H,3,8-9H2,1-2H3
InChIKeyPMDHILZFVKDKNU-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
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N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
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N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine (CID 60776921) is N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine is CCCN(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is PMDHILZFVKDKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-3-8-13(2)9-10-6-4-5-7-11(10)12/h4-7H,3,8-9H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine?
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 60776921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).