[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine

C14H21BrN2 — CID 114879651

IUPAC[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
SMILESCC1(C)CCN(c2cccc(Br)c2CN)CC1
InChIInChI=1S/C14H21BrN2/c1-14(2)6-8-17(9-7-14)13-5-3-4-12(15)11(13)10-16/h3-5H,6-10,16H2,1-2H3
InChIKeyPDSGVKQYSNFVPN-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.53
Rot. Bonds2

About [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine

[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine (PubChem CID 114879651) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
PubChem CID114879651
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine
SMILESCC1(C)CCN(c2cccc(Br)c2CN)CC1
InChIInChI=1S/C14H21BrN2/c1-14(2)6-8-17(9-7-14)13-5-3-4-12(15)11(13)10-16/h3-5H,6-10,16H2,1-2H3
InChIKeyPDSGVKQYSNFVPN-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-3-bromophenyl]piperidin-4-ol
CID 114879416
[2-chloro-6-(4,4-dimethylazepan-1-yl)phenyl]methanamine
CID 65283852
[2-bromo-6-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742897
[2-bromo-6-(3-ethylpyrrolidin-1-yl)phenyl]methanamine
CID 114879785
1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
CID 114879806
2-[2-chloro-6-(4,4-dimethylpiperidin-1-yl)phenyl]ethanamine
CID 55236775
1-[4-[2-(aminomethyl)-3-bromophenyl]-1,4-diazepan-1-yl]ethanone
CID 114879594
[2-bromo-6-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 114879434
[2-bromo-6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)phenyl]methanamine
CID 114879674
[2-bromo-6-(2-propan-2-ylpyrrolidin-1-yl)phenyl]methanamine
CID 114879719
8-[2-(aminomethyl)-3-bromophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114879692
4-[2-(aminomethyl)-3-bromophenyl]-1,4-diazepan-2-one
CID 114879712

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine (CID 114879651) is [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine is CC1(C)CCN(c2cccc(Br)c2CN)CC1.
What is the InChIKey of [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is PDSGVKQYSNFVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2)6-8-17(9-7-14)13-5-3-4-12(15)11(13)10-16/h3-5H,6-10,16H2,1-2H3.
What are the key properties of [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine?
[2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 297.24 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(4,4-dimethylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 114879651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).