N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine

C16H24BrNO — CID 106204893

IUPACN-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-12(2)18-11-16(19-10-9-13-3-4-13)14-5-7-15(17)8-6-14/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3
InChIKeyBDWPWCVOAPFONP-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.30
Rot. Bonds8

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

N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine (PubChem CID 106204893) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
PubChem CID106204893
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
SMILESCC(C)NCC(OCCC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-12(2)18-11-16(19-10-9-13-3-4-13)14-5-7-15(17)8-6-14/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3
InChIKeyBDWPWCVOAPFONP-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
CID 106204927
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]cyclopropanamine
CID 106204912
N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
CID 106205093
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
N-[2-(4-bromophenyl)-2-(3-methoxypropoxy)ethyl]propan-2-amine
CID 62106452
N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
CID 106204997
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 106200075
1-bromo-4-[1-(2-cyclobutylethoxy)ethyl]benzene
CID 166785433
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
2-(2-cyclopropylethoxy)-N-methyl-2-(4-methylphenyl)ethanamine
CID 106204976
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
N-[2-(4-bromophenyl)-2-(cyclopropylmethoxy)ethyl]-2-methylpropan-2-amine
CID 62107147

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine (CID 106204893) is N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine is CC(C)NCC(OCCC1CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine?
The InChIKey is BDWPWCVOAPFONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(2)18-11-16(19-10-9-13-3-4-13)14-5-7-15(17)8-6-14/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine?
N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 106204893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).