N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine

C17H26BrNO — CID 63417125

IUPACN-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)c(Br)c1)C1CCCC1
InChIInChI=1S/C17H26BrNO/c1-3-10-19-16(14-6-4-5-7-14)12-13-8-9-17(20-2)15(18)11-13/h8-9,11,14,16,19H,3-7,10,12H2,1-2H3
InChIKeyNFLKPZCPRDUPSJ-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.56
Rot. Bonds7

About N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine

N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine (PubChem CID 63417125) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
PubChem CID63417125
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC NameN-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)c(Br)c1)C1CCCC1
InChIInChI=1S/C17H26BrNO/c1-3-10-19-16(14-6-4-5-7-14)12-13-8-9-17(20-2)15(18)11-13/h8-9,11,14,16,19H,3-7,10,12H2,1-2H3
InChIKeyNFLKPZCPRDUPSJ-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80626648
[2-(3-bromo-4-methoxyphenyl)-1-cyclopropylethyl]hydrazine
CID 105202342
N-[2-(3-bromo-4-methoxyphenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352752
N-[2-(3-bromophenyl)-1-cyclohexylethyl]propan-1-amine
CID 55020965
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 115817876
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107188012
3-(3-bromo-4-methoxyphenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 115818094
1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 63412972
N-[2-(3-bromo-4-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415531
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanamine
CID 64986507

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine (CID 63417125) is N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine is CCCNC(Cc1ccc(OC)c(Br)c1)C1CCCC1.
What is the InChIKey of N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine?
The InChIKey is NFLKPZCPRDUPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-3-10-19-16(14-6-4-5-7-14)12-13-8-9-17(20-2)15(18)11-13/h8-9,11,14,16,19H,3-7,10,12H2,1-2H3.
What are the key properties of N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine?
N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-4-methoxyphenyl)-1-cyclopentylethyl]propan-1-amine is sourced from PubChem (CID 63417125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).