N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine

C14H20BrNO2 — CID 103228977

IUPACN-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)OCc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-17-10-14(8-16-13-5-6-13)18-9-11-3-2-4-12(15)7-11/h2-4,7,13-14,16H,5-6,8-10H2,1H3
InChIKeyHOZUPVLXHKITOM-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.73
Rot. Bonds8

About N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine

N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine (PubChem CID 103228977) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine
PubChem CID103228977
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine
SMILESCOCC(CNC1CC1)OCc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-17-10-14(8-16-13-5-6-13)18-9-11-3-2-4-12(15)7-11/h2-4,7,13-14,16H,5-6,8-10H2,1H3
InChIKeyHOZUPVLXHKITOM-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromophenoxy)butyl]cyclopropanamine
CID 62460625
N-[[3-(1-phenylethoxymethyl)phenyl]methyl]cyclopropanamine
CID 62443430
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
CID 103227787
N-[2-(3-chlorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228332
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228884
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703
N-(3-methoxy-2-naphthalen-2-yloxypropyl)cyclopropanamine
CID 103228378
N-[2-(methoxymethyl)-3-(3-methylphenyl)propyl]cyclopropanamine
CID 113361834
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine (CID 103228977) is N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine is COCC(CNC1CC1)OCc1cccc(Br)c1.
What is the InChIKey of N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine?
The InChIKey is HOZUPVLXHKITOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-10-14(8-16-13-5-6-13)18-9-11-3-2-4-12(15)7-11/h2-4,7,13-14,16H,5-6,8-10H2,1H3.
What are the key properties of N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine?
N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine has a molecular weight of 314.22 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine is sourced from PubChem (CID 103228977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).