N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine

C15H22BrNO — CID 104986510

IUPACN-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H22BrNO/c1-3-8-17-14(9-11-4-5-11)13-7-6-12(16)10-15(13)18-2/h6-7,10-11,14,17H,3-5,8-9H2,1-2H3
InChIKeyARLGHGBIQNNHJI-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.30
Rot. Bonds7

About N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine

N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine (PubChem CID 104986510) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
PubChem CID104986510
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H22BrNO/c1-3-8-17-14(9-11-4-5-11)13-7-6-12(16)10-15(13)18-2/h6-7,10-11,14,17H,3-5,8-9H2,1-2H3
InChIKeyARLGHGBIQNNHJI-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-2-methoxyphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863765
N-[2-cyclopropyl-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945969
[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]hydrazine
CID 105311172
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
1-(4-bromo-2-methoxyphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848547
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
N-[1-(4-bromo-2-methoxyphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029504
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938
N-[2-cyclopropyl-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 104986393

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine (CID 104986510) is N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine is CCCNC(CC1CC1)c1ccc(Br)cc1OC.
What is the InChIKey of N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine?
The InChIKey is ARLGHGBIQNNHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-8-17-14(9-11-4-5-11)13-7-6-12(16)10-15(13)18-2/h6-7,10-11,14,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine?
N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine has a molecular weight of 312.25 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-methoxyphenyl)-2-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 104986510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).