N-[(4-bromophenyl)methyl]propan-2-amine

C10H14BrN — CID 12939866

IUPACN-[(4-bromophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyDFQJMTRRBIJCLB-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.95
Rot. Bonds3

About N-[(4-bromophenyl)methyl]propan-2-amine

N-[(4-bromophenyl)methyl]propan-2-amine (PubChem CID 12939866) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]propan-2-amine
PubChem CID12939866
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC NameN-[(4-bromophenyl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKeyDFQJMTRRBIJCLB-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bretylium
CID 2431
4-Bromo-alpha-methylbenzeneethanamine
CID 205668
Isopropylbenzylamine
CID 66024
N-Ethylbenzylamine
CID 84352
4-Bromobenzylamine
CID 77571
1-(4-Bromophenyl)ethylamine
CID 91175
N-Propylbenzylamine
CID 74850
p-Bromophenethylamine
CID 533915
N-Methyl-1-phenylethylamine
CID 577403
N-Butyl-alpha-methylbenzenemethanamine
CID 21518
2-Bromo-N-methylbenzylamine
CID 522360
2-(2-bromophenyl)-N-methylethanamine
CID 11964124

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]propan-2-amine (CID 12939866) is N-[(4-bromophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]propan-2-amine is CC(C)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]propan-2-amine?
The InChIKey is DFQJMTRRBIJCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]propan-2-amine?
N-[(4-bromophenyl)methyl]propan-2-amine has a molecular weight of 228.13 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]propan-2-amine is sourced from PubChem (CID 12939866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).