N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine

C15H22BrN — CID 114229668

IUPACN-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1C(c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C15H22BrN/c1-10(2)17-9-13-14(15(13,3)4)11-5-7-12(16)8-6-11/h5-8,10,13-14,17H,9H2,1-4H3
InChIKeyICBGXUNCZMBBFF-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.19
Rot. Bonds4

About N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine

N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine (PubChem CID 114229668) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine
PubChem CID114229668
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC NameN-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1C(c2ccc(Br)cc2)C1(C)C
InChIInChI=1S/C15H22BrN/c1-10(2)17-9-13-14(15(13,3)4)11-5-7-12(16)8-6-11/h5-8,10,13-14,17H,9H2,1-4H3
InChIKeyICBGXUNCZMBBFF-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine (CID 114229668) is N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine is CC(C)NCC1C(c2ccc(Br)cc2)C1(C)C.
What is the InChIKey of N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine?
The InChIKey is ICBGXUNCZMBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-10(2)17-9-13-14(15(13,3)4)11-5-7-12(16)8-6-11/h5-8,10,13-14,17H,9H2,1-4H3.
What are the key properties of N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine?
N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine has a molecular weight of 296.25 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 114229668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).