N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine

C15H22BrClN2 — CID 81497827

IUPACN-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
SMILESCCN1CCC(CNCc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H22BrClN2/c1-2-19-7-5-12(6-8-19)10-18-11-13-3-4-14(17)9-15(13)16/h3-4,9,12,18H,2,5-8,10-11H2,1H3
InChIKeyJRXYAOSDMMQGSY-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.92
Rot. Bonds5

About N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine

N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine (PubChem CID 81497827) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
PubChem CID81497827
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC NameN-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
SMILESCCN1CCC(CNCc2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H22BrClN2/c1-2-19-7-5-12(6-8-19)10-18-11-13-3-4-14(17)9-15(13)16/h3-4,9,12,18H,2,5-8,10-11H2,1H3
InChIKeyJRXYAOSDMMQGSY-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 81490395
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856676
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 115761800
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855864
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80551575
N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 114452786
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-4-methylphenol
CID 55203794
2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]aniline
CID 66417480
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968095
(3R)-1-[(2-bromo-4-chlorophenyl)methyl]pyrrolidin-3-amine
CID 119905432

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine (CID 81497827) is N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine is CCN1CCC(CNCc2ccc(Cl)cc2Br)CC1.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine?
The InChIKey is JRXYAOSDMMQGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-2-19-7-5-12(6-8-19)10-18-11-13-3-4-14(17)9-15(13)16/h3-4,9,12,18H,2,5-8,10-11H2,1H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine?
N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine has a molecular weight of 345.71 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine is sourced from PubChem (CID 81497827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).