N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine

C16H24BrNO — CID 104649495

IUPACN-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
SMILESCOCCCCC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-19-10-3-2-5-14(12-18-16-8-9-16)13-6-4-7-15(17)11-13/h4,6-7,11,14,16,18H,2-3,5,8-10,12H2,1H3
InChIKeyNICSNQZYIQFIHS-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.10
Rot. Bonds9

About N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine

N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine (PubChem CID 104649495) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
PubChem CID104649495
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
SMILESCOCCCCC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-19-10-3-2-5-14(12-18-16-8-9-16)13-6-4-7-15(17)11-13/h4,6-7,11,14,16,18H,2-3,5,8-10,12H2,1H3
InChIKeyNICSNQZYIQFIHS-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
2-(3-bromophenyl)-N-ethyl-5-methoxypentan-1-amine
CID 79442906
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544
N-[4-(2-methoxyethoxy)-2-(3-methylphenyl)butyl]cyclopropanamine
CID 79417115
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N-[2-(3-bromophenyl)-3-(oxan-4-yl)propyl]cyclopropanamine
CID 79442605
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
CID 83182710
N-(2-phenylnonyl)cyclopropanamine
CID 65431169

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine (CID 104649495) is N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine is COCCCCC(CNC1CC1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine?
The InChIKey is NICSNQZYIQFIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-19-10-3-2-5-14(12-18-16-8-9-16)13-6-4-7-15(17)11-13/h4,6-7,11,14,16,18H,2-3,5,8-10,12H2,1H3.
What are the key properties of N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine?
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine has a molecular weight of 326.28 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine is sourced from PubChem (CID 104649495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).