1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine

C13H19BrN2 — CID 116958838

IUPAC1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Br)C1(CN)CCC1
InChIInChI=1S/C13H19BrN2/c1-16-12(13(9-15)7-4-8-13)10-5-2-3-6-11(10)14/h2-3,5-6,12,16H,4,7-9,15H2,1H3
InChIKeyMUUQDMCETPGZHY-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.84
Rot. Bonds4

About 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine

1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine (PubChem CID 116958838) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine
PubChem CID116958838
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Br)C1(CN)CCC1
InChIInChI=1S/C13H19BrN2/c1-16-12(13(9-15)7-4-8-13)10-5-2-3-6-11(10)14/h2-3,5-6,12,16H,4,7-9,15H2,1H3
InChIKeyMUUQDMCETPGZHY-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-1-(5-bromo-2-fluorophenyl)-N-methylmethanamine
CID 116958816
methyl 1-[(2-bromophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959138
1-[1-(aminomethyl)cyclopropyl]-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116958427
[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959077
[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-(2-bromophenyl)methanol
CID 79123873
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116958827
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-naphthalen-2-ylmethanamine
CID 116958499
1-(2-bromophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116950044
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116958371
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754
N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-phenylmethanamine
CID 116958853

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine (CID 116958838) is 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine is CNC(c1ccccc1Br)C1(CN)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine?
The InChIKey is MUUQDMCETPGZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-16-12(13(9-15)7-4-8-13)10-5-2-3-6-11(10)14/h2-3,5-6,12,16H,4,7-9,15H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine?
1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine is sourced from PubChem (CID 116958838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).