2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine

C14H20BrClN2 — CID 83230799

IUPAC2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H20BrClN2/c15-13-9-11(4-5-14(13)16)10-18-8-2-1-3-12(18)6-7-17/h4-5,9,12H,1-3,6-8,10,17H2
InChIKeyJNWDQAVANIPJKZ-UHFFFAOYSA-N
MW331.69 g/mol
LogP3.81
Rot. Bonds4

About 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine

2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine (PubChem CID 83230799) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine
PubChem CID83230799
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine
SMILESNCCC1CCCCN1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H20BrClN2/c15-13-9-11(4-5-14(13)16)10-18-8-2-1-3-12(18)6-7-17/h4-5,9,12H,1-3,6-8,10,17H2
InChIKeyJNWDQAVANIPJKZ-UHFFFAOYSA-N
XLogP3.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 83240966
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 114077036
2-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 66155674
2-(2-bromoethyl)-1-[(4-chloro-3-fluorophenyl)methyl]piperidine
CID 107887471
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
1-[(3-bromo-4-fluorophenyl)methyl]-2-(chloromethyl)azepane
CID 116638678
2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63758972
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine
CID 106885961
1-[(3-bromo-4-fluorophenyl)methyl]-2-(bromomethyl)azepane
CID 116638475
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916130

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine (CID 83230799) is 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine is NCCC1CCCCN1Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is JNWDQAVANIPJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c15-13-9-11(4-5-14(13)16)10-18-8-2-1-3-12(18)6-7-17/h4-5,9,12H,1-3,6-8,10,17H2.
What are the key properties of 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine?
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 331.69 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 83230799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).