1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine

C13H19BrN2 — CID 79521426

IUPAC1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
SMILESCN(Cc1ccc(Br)cc1)C1(CN)CCC1
InChIInChI=1S/C13H19BrN2/c1-16(13(10-15)7-2-8-13)9-11-3-5-12(14)6-4-11/h3-6H,2,7-10,15H2,1H3
InChIKeySMBXLAOTBZSBDZ-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.76
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine

1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine (PubChem CID 79521426) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
PubChem CID79521426
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
SMILESCN(Cc1ccc(Br)cc1)C1(CN)CCC1
InChIInChI=1S/C13H19BrN2/c1-16(13(10-15)7-2-8-13)9-11-3-5-12(14)6-4-11/h3-6H,2,7-10,15H2,1H3
InChIKeySMBXLAOTBZSBDZ-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 61415917
2-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415914
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661092
1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 62010342
4-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyloxepan-4-amine
CID 65079383
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79521086
1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine
CID 61422834
3-(aminomethyl)-N-benzyl-N-methylthian-3-amine
CID 62871840
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine
CID 54981505
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65089283

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine (CID 79521426) is 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine is CN(Cc1ccc(Br)cc1)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine?
The InChIKey is SMBXLAOTBZSBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-16(13(10-15)7-2-8-13)9-11-3-5-12(14)6-4-11/h3-6H,2,7-10,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine?
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine has a molecular weight of 283.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine is sourced from PubChem (CID 79521426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).