N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine

C14H21BrN2 — CID 172648451

IUPACN-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCc1cccc(CNC2CCN(C)CC2)c1Br
InChIInChI=1S/C14H21BrN2/c1-11-4-3-5-12(14(11)15)10-16-13-6-8-17(2)9-7-13/h3-5,13,16H,6-10H2,1-2H3
InChIKeyAFHVRGWORBENMN-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.94
Rot. Bonds3

About N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine

N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 172648451) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID172648451
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCc1cccc(CNC2CCN(C)CC2)c1Br
InChIInChI=1S/C14H21BrN2/c1-11-4-3-5-12(14(11)15)10-16-13-6-8-17(2)9-7-13/h3-5,13,16H,6-10H2,1-2H3
InChIKeyAFHVRGWORBENMN-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-N-[(3-methyl-2-nitrophenyl)methyl]piperidin-4-amine
CID 142061578
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-[(2-fluoro-3-nitrophenyl)methyl]-1-methylpiperidin-4-amine
CID 107348937
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 70653063
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
CID 115904880
2-methyl-1-[2-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]propan-1-one
CID 165156803
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine (CID 172648451) is N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine is Cc1cccc(CNC2CCN(C)CC2)c1Br.
What is the InChIKey of N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is AFHVRGWORBENMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-11-4-3-5-12(14(11)15)10-16-13-6-8-17(2)9-7-13/h3-5,13,16H,6-10H2,1-2H3.
What are the key properties of N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine?
N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 297.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 172648451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).