N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide

C14H19BrN2O2 — CID 115272631

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2(CN)CC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-17(9-14(8-16)5-6-14)13(18)10-3-4-12(19-2)11(15)7-10/h3-4,7H,5-6,8-9,16H2,1-2H3
InChIKeyUYQMQDSSYAJRHV-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.27
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide (PubChem CID 115272631) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide
PubChem CID115272631
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2(CN)CC2)cc1Br
InChIInChI=1S/C14H19BrN2O2/c1-17(9-14(8-16)5-6-14)13(18)10-3-4-12(19-2)11(15)7-10/h3-4,7H,5-6,8-9,16H2,1-2H3
InChIKeyUYQMQDSSYAJRHV-UHFFFAOYSA-N
XLogP2.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
CID 115272623
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 115272627
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-4-propan-2-ylbenzamide
CID 115272619
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 60978582
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 60737430
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
[1-[(3-bromo-4-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243340
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 63682333

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide (CID 115272631) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC2(CN)CC2)cc1Br.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide?
The InChIKey is UYQMQDSSYAJRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(9-14(8-16)5-6-14)13(18)10-3-4-12(19-2)11(15)7-10/h3-4,7H,5-6,8-9,16H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-bromo-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 115272631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).