N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine

C13H17Br2NO — CID 29225012

IUPACN-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1c(Br)cc(Br)cc1CNC1CC1
InChIInChI=1S/C13H17Br2NO/c1-2-5-17-13-9(8-16-11-3-4-11)6-10(14)7-12(13)15/h6-7,11,16H,2-5,8H2,1H3
InChIKeyCQGINUBVLOTEBH-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.25
Rot. Bonds6

About N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine

N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine (PubChem CID 29225012) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine
PubChem CID29225012
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC NameN-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine
SMILESCCCOc1c(Br)cc(Br)cc1CNC1CC1
InChIInChI=1S/C13H17Br2NO/c1-2-5-17-13-9(8-16-11-3-4-11)6-10(14)7-12(13)15/h6-7,11,16H,2-5,8H2,1H3
InChIKeyCQGINUBVLOTEBH-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclooctanamine
CID 29225030
N-[(5-bromo-3-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 112620448
4-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62320717
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896
4-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]cyclohexan-1-amine
CID 63507013
N-[(3,5-dibromo-2-propoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 29224940
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222615
5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one
CID 63378552
2-[3-[(3,5-dibromo-2-propoxyphenyl)methylamino]propylamino]ethanol
CID 29241687
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
CID 29227748
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine
CID 66525622
N-[(5-bromo-3-methyl-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 112620424

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine (CID 29225012) is N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine is CCCOc1c(Br)cc(Br)cc1CNC1CC1.
What is the InChIKey of N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine?
The InChIKey is CQGINUBVLOTEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-2-5-17-13-9(8-16-11-3-4-11)6-10(14)7-12(13)15/h6-7,11,16H,2-5,8H2,1H3.
What are the key properties of N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine?
N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine has a molecular weight of 363.09 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-2-propoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 29225012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).