N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine

C16H24BrN — CID 114229554

IUPACN-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1C(C)(C)C1(C)c1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-5-10-18-11-14-15(2,3)16(14,4)12-8-6-7-9-13(12)17/h6-9,14,18H,5,10-11H2,1-4H3
InChIKeyLOWHMIPFVDHSPW-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.36
Rot. Bonds5

About N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine

N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine (PubChem CID 114229554) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine
PubChem CID114229554
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1C(C)(C)C1(C)c1ccccc1Br
InChIInChI=1S/C16H24BrN/c1-5-10-18-11-14-15(2,3)16(14,4)12-8-6-7-9-13(12)17/h6-9,14,18H,5,10-11H2,1-4H3
InChIKeyLOWHMIPFVDHSPW-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine (CID 114229554) is N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine is CCCNCC1C(C)(C)C1(C)c1ccccc1Br.
What is the InChIKey of N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine?
The InChIKey is LOWHMIPFVDHSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-5-10-18-11-14-15(2,3)16(14,4)12-8-6-7-9-13(12)17/h6-9,14,18H,5,10-11H2,1-4H3.
What are the key properties of N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine?
N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromophenyl)-2,3,3-trimethylcyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 114229554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).