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

C14H20BrN — CID 104819466

IUPACN-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
SMILESCC(C)NCC(c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H20BrN/c1-10(2)16-9-14(11-3-4-11)12-5-7-13(15)8-6-12/h5-8,10-11,14,16H,3-4,9H2,1-2H3
InChIKeyAVSUYKNXZPHOSL-UHFFFAOYSA-N
MW282.23 g/mol
LogP3.94
Rot. Bonds5

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

N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine (PubChem CID 104819466) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
PubChem CID104819466
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC NameN-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine
SMILESCC(C)NCC(c1ccc(Br)cc1)C1CC1
InChIInChI=1S/C14H20BrN/c1-10(2)16-9-14(11-3-4-11)12-5-7-13(15)8-6-12/h5-8,10-11,14,16H,3-4,9H2,1-2H3
InChIKeyAVSUYKNXZPHOSL-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
2-(4-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 82934214
2-(4-bromophenyl)-2-cycloheptyl-N-(2-methoxyethyl)ethanamine
CID 82934143
1-bromo-4-(2-bromo-1-cyclohexylethyl)benzene
CID 82946371
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 82933194
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204893
N-[(4-bromophenyl)-cyclopropylmethyl]ethanamine
CID 43488686
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
2-(4-bromophenyl)-2-(4-tert-butylcyclohexyl)ethanamine
CID 83973803
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 104819456
(2S)-2-(4-bromophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine
CID 58458206

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine (CID 104819466) is N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine is CC(C)NCC(c1ccc(Br)cc1)C1CC1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine?
The InChIKey is AVSUYKNXZPHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10(2)16-9-14(11-3-4-11)12-5-7-13(15)8-6-12/h5-8,10-11,14,16H,3-4,9H2,1-2H3.
What are the key properties of N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine?
N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine has a molecular weight of 282.23 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-cyclopropylethyl]propan-2-amine is sourced from PubChem (CID 104819466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).