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

C16H22BrNO — CID 65194895

IUPACN-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)cc1CC1(CNC2CC2)CCC1
InChIInChI=1S/C16H22BrNO/c1-19-15-6-3-13(17)9-12(15)10-16(7-2-8-16)11-18-14-4-5-14/h3,6,9,14,18H,2,4-5,7-8,10-11H2,1H3
InChIKeyRRBMGVMIJVDNRW-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.92
Rot. Bonds6

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

N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 65194895) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID65194895
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine
SMILESCOc1ccc(Br)cc1CC1(CNC2CC2)CCC1
InChIInChI=1S/C16H22BrNO/c1-19-15-6-3-13(17)9-12(15)10-16(7-2-8-16)11-18-14-4-5-14/h3,6,9,14,18H,2,4-5,7-8,10-11H2,1H3
InChIKeyRRBMGVMIJVDNRW-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 63509042
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66023806
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methanol
CID 66026762
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
[1-[(5-bromo-2-methoxyphenyl)methyl]cyclopropyl]methanol
CID 66023451
[1-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 65424670
1-[3-[(5-bromo-2-methoxyphenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718338
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
1-[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methyloxolan-3-yl]-N-methylmethanamine
CID 114534147
1-[(5-bromo-2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107450061
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 105374919

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine (CID 65194895) is N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine is COc1ccc(Br)cc1CC1(CNC2CC2)CCC1.
What is the InChIKey of N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is RRBMGVMIJVDNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-19-15-6-3-13(17)9-12(15)10-16(7-2-8-16)11-18-14-4-5-14/h3,6,9,14,18H,2,4-5,7-8,10-11H2,1H3.
What are the key properties of N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine?
N-[[1-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 324.26 g/mol, XLogP of 3.92, 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]cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 65194895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).