N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine

C15H19Br2NO — CID 107743553

IUPACN-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
SMILESBrc1cc(CNC2CC2)cc(Br)c1OC1CCCC1
InChIInChI=1S/C15H19Br2NO/c16-13-7-10(9-18-11-5-6-11)8-14(17)15(13)19-12-3-1-2-4-12/h7-8,11-12,18H,1-6,9H2
InChIKeyIPOBBVJSNMLAOC-UHFFFAOYSA-N
MW389.13 g/mol
LogP4.78
Rot. Bonds5

About N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine

N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine (PubChem CID 107743553) has the molecular formula C15H19Br2NO and a molecular weight of 389.13 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
PubChem CID107743553
Molecular FormulaC15H19Br2NO
Molecular Weight389.13 g/mol
Exact Mass386.98
IUPAC NameN-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine
SMILESBrc1cc(CNC2CC2)cc(Br)c1OC1CCCC1
InChIInChI=1S/C15H19Br2NO/c16-13-7-10(9-18-11-5-6-11)8-14(17)15(13)19-12-3-1-2-4-12/h7-8,11-12,18H,1-6,9H2
InChIKeyIPOBBVJSNMLAOC-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
N-[(3,5-dibromo-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 107742316
2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]ethanol
CID 107743238
N-[[3-bromo-5-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63557340
N-[(3,5-dibromo-4-pentan-3-yloxyphenyl)methyl]cyclopropanamine
CID 107743424
N-[(3-bromo-2-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82926270
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
1-(3-bromo-4-cyclopentyloxy-5-ethoxyphenyl)-N-methylmethanamine
CID 43626927
4-N-[(3,5-dibromo-4-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62319975
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
methyl 2-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]acetate
CID 107743288

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine (CID 107743553) is N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine is Brc1cc(CNC2CC2)cc(Br)c1OC1CCCC1.
What is the InChIKey of N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine?
The InChIKey is IPOBBVJSNMLAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2NO/c16-13-7-10(9-18-11-5-6-11)8-14(17)15(13)19-12-3-1-2-4-12/h7-8,11-12,18H,1-6,9H2.
What are the key properties of N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine?
N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine has a molecular weight of 389.13 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-cyclopentyloxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 107743553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).