N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine

C14H21BrN2O — CID 65327435

IUPACN-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCOc1ccc(Br)c(CN(C)C2CCCNC2)c1
InChIInChI=1S/C14H21BrN2O/c1-17(12-4-3-7-16-9-12)10-11-8-13(18-2)5-6-14(11)15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyLJBOMJQGHIUINA-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.64
Rot. Bonds4

About N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine

N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 65327435) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
PubChem CID65327435
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCOc1ccc(Br)c(CN(C)C2CCCNC2)c1
InChIInChI=1S/C14H21BrN2O/c1-17(12-4-3-7-16-9-12)10-11-8-13(18-2)5-6-14(11)15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKeyLJBOMJQGHIUINA-UHFFFAOYSA-N
XLogP2.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylazetidin-3-amine;hydrochloride
CID 120851632
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639732
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188
N-[(2-bromo-5-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 65326987
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
4-[(2-bromo-5-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120425
2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide
CID 63638310
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
N-[(2-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106865573

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine (CID 65327435) is N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine is COc1ccc(Br)c(CN(C)C2CCCNC2)c1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is LJBOMJQGHIUINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-17(12-4-3-7-16-9-12)10-11-8-13(18-2)5-6-14(11)15/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine?
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 313.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 65327435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).