1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide

C14H19BrN2O — CID 115447915

IUPAC1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1(CN)CCC1
InChIInChI=1S/C14H19BrN2O/c1-17(9-11-5-2-3-6-12(11)15)13(18)14(10-16)7-4-8-14/h2-3,5-6H,4,7-10,16H2,1H3
InChIKeyDEPLSBLWXGHMDZ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.54
Rot. Bonds4

About 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 115447915) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
PubChem CID115447915
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1(CN)CCC1
InChIInChI=1S/C14H19BrN2O/c1-17(9-11-5-2-3-6-12(11)15)13(18)14(10-16)7-4-8-14/h2-3,5-6H,4,7-10,16H2,1H3
InChIKeyDEPLSBLWXGHMDZ-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide (CID 115447915) is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide is CN(Cc1ccccc1Br)C(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is DEPLSBLWXGHMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17(9-11-5-2-3-6-12(11)15)13(18)14(10-16)7-4-8-14/h2-3,5-6H,4,7-10,16H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115447915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).