3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine

C16H24BrN — CID 83159961

IUPAC3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H24BrN/c1-12(2)18-11-16(3,14-8-9-14)10-13-6-4-5-7-15(13)17/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyHFBAMWQZHZPODS-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.41
Rot. Bonds6

About 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine

3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 83159961) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID83159961
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H24BrN/c1-12(2)18-11-16(3,14-8-9-14)10-13-6-4-5-7-15(13)17/h4-7,12,14,18H,8-11H2,1-3H3
InChIKeyHFBAMWQZHZPODS-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-2-methyl-3-(2-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 83159965
2-cyclopropyl-3-(2,6-dichlorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159242
2-cyclopropyl-2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 83160149
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
CID 83159690
2-cyclopropyl-4-(2-methoxyphenoxy)-2-methyl-N-propan-2-ylbutan-1-amine
CID 83150500
3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-N-ethyl-2-methylpropan-1-amine
CID 83149504
3-(2-bromo-4-fluorophenyl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83148242
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024241
N-[3-(2-bromo-5-methoxyphenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 83159794
2-cyclopropyl-2-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 83160239

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine (CID 83159961) is 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)(Cc1ccccc1Br)C1CC1.
What is the InChIKey of 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is HFBAMWQZHZPODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12(2)18-11-16(3,14-8-9-14)10-13-6-4-5-7-15(13)17/h4-7,12,14,18H,8-11H2,1-3H3.
What are the key properties of 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine?
3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 310.28 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 83159961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).