1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine

C14H21BrN2O — CID 106821849

IUPAC1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
SMILESCOC1CC(CN)(N(C)Cc2cccc(Br)c2)C1
InChIInChI=1S/C14H21BrN2O/c1-17(9-11-4-3-5-12(15)6-11)14(10-16)7-13(8-14)18-2/h3-6,13H,7-10,16H2,1-2H3
InChIKeyCQAXKKSOKBSOMJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.39
Rot. Bonds5

About 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine

1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine (PubChem CID 106821849) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
PubChem CID106821849
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
SMILESCOC1CC(CN)(N(C)Cc2cccc(Br)c2)C1
InChIInChI=1S/C14H21BrN2O/c1-17(9-11-4-3-5-12(15)6-11)14(10-16)7-13(8-14)18-2/h3-6,13H,7-10,16H2,1-2H3
InChIKeyCQAXKKSOKBSOMJ-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415233
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,3,3,5-tetramethylcyclohexan-1-amine
CID 63470621
1-(aminomethyl)-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylcyclobutan-1-amine
CID 106821852
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxolan-3-amine
CID 63335444
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
3-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82717967
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61420272
1-(aminomethyl)-3-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 106821948
1-[(3-bromophenyl)methyl]-3-methoxyazetidine
CID 130548246
2-N-[(3-bromophenyl)methyl]-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179643

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine (CID 106821849) is 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine is COC1CC(CN)(N(C)Cc2cccc(Br)c2)C1.
What is the InChIKey of 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine?
The InChIKey is CQAXKKSOKBSOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-17(9-11-4-3-5-12(15)6-11)14(10-16)7-13(8-14)18-2/h3-6,13H,7-10,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine?
1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine has a molecular weight of 313.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3-bromophenyl)methyl]-3-methoxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 106821849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).