1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide

C14H19BrN2O2 — CID 115183487

IUPAC1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)C1(CN)CCC1
InChIInChI=1S/C14H19BrN2O2/c1-17(13(18)14(9-16)6-3-7-14)11-8-10(15)4-5-12(11)19-2/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyXDDRLQATGNKHOW-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.55
Rot. Bonds4

About 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115183487) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
PubChem CID115183487
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
SMILESCOc1ccc(Br)cc1N(C)C(=O)C1(CN)CCC1
InChIInChI=1S/C14H19BrN2O2/c1-17(13(18)14(9-16)6-3-7-14)11-8-10(15)4-5-12(11)19-2/h4-5,8H,3,6-7,9,16H2,1-2H3
InChIKeyXDDRLQATGNKHOW-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600
1-(aminomethyl)-N-(5-ethyl-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182612
2-amino-N-(5-bromo-2-methoxyphenyl)-N-methylacetamide
CID 82502070
1-(aminomethyl)-N-(2-bromophenyl)-N-methylcyclobutane-1-carboxamide
CID 115183508
N-(5-bromo-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193399
3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
CID 115153548
N-(5-bromo-2-methoxyphenyl)-N-methyl-2-oxoacetamide
CID 115166038
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
1-(aminomethyl)-N-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80587931
2-amino-N-(5-bromo-2-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179710
N-(5-bromo-2-methoxyphenyl)-3-chloro-N-methylpropanamide
CID 115162399

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide (CID 115183487) is 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide is COc1ccc(Br)cc1N(C)C(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is XDDRLQATGNKHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(13(18)14(9-16)6-3-7-14)11-8-10(15)4-5-12(11)19-2/h4-5,8H,3,6-7,9,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).