N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine

C16H24BrN — CID 79443132

IUPACN-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
SMILESCC(C)CCC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrN/c1-12(2)6-7-14(11-18-16-8-9-16)13-4-3-5-15(17)10-13/h3-5,10,12,14,16,18H,6-9,11H2,1-2H3
InChIKeyRWIINQGRRNXYLX-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.72
Rot. Bonds7

About N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine

N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine (PubChem CID 79443132) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
PubChem CID79443132
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
SMILESCC(C)CCC(CNC1CC1)c1cccc(Br)c1
InChIInChI=1S/C16H24BrN/c1-12(2)6-7-14(11-18-16-8-9-16)13-4-3-5-15(17)10-13/h3-5,10,12,14,16,18H,6-9,11H2,1-2H3
InChIKeyRWIINQGRRNXYLX-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
N-[2-(3-bromophenyl)-6-methoxyhexyl]cyclopropanamine
CID 104649495
N-[2-(3-bromophenyl)-4-(3-methoxypropoxy)butyl]cyclopropanamine
CID 103183703
N-[2-(3-chlorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169064
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-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
CID 83182710
N-[2-(3-bromophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79443583
N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
CID 62382196
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine?
The IUPAC name of N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine (CID 79443132) is N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine is CC(C)CCC(CNC1CC1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine?
The InChIKey is RWIINQGRRNXYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-12(2)6-7-14(11-18-16-8-9-16)13-4-3-5-15(17)10-13/h3-5,10,12,14,16,18H,6-9,11H2,1-2H3.
What are the key properties of N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine?
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine has a molecular weight of 310.28 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine is sourced from PubChem (CID 79443132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).