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N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine

C18H26BrNO — CID 63509042

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)cc1CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C18H26BrNO/c1-21-17-8-5-15(19)11-14(17)12-18(9-3-2-4-10-18)13-20-16-6-7-16/h5,8,11,16,20H,2-4,6-7,9-10,12-13H2,1H3
InChIKeySHWDJOVEFYFXJE-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.70
Rot. Bonds6

About N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine

N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 63509042) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID63509042
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)cc1CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C18H26BrNO/c1-21-17-8-5-15(19)11-14(17)12-18(9-3-2-4-10-18)13-20-16-6-7-16/h5,8,11,16,20H,2-4,6-7,9-10,12-13H2,1H3
InChIKeySHWDJOVEFYFXJE-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine (CID 63509042) is N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine is COc1ccc(Br)cc1CC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is SHWDJOVEFYFXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-21-17-8-5-15(19)11-14(17)12-18(9-3-2-4-10-18)13-20-16-6-7-16/h5,8,11,16,20H,2-4,6-7,9-10,12-13H2,1H3.
What are the key properties of N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 352.32 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 63509042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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