2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine

C14H21BrN2 — CID 115210021

IUPAC2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESBrc1ccccc1CCNCC1CCNCC1
InChIInChI=1S/C14H21BrN2/c15-14-4-2-1-3-13(14)7-10-17-11-12-5-8-16-9-6-12/h1-4,12,16-17H,5-11H2
InChIKeyHUBFDWFAHQUWRD-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine

2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 115210021) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID115210021
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESBrc1ccccc1CCNCC1CCNCC1
InChIInChI=1S/C14H21BrN2/c15-14-4-2-1-3-13(14)7-10-17-11-12-5-8-16-9-6-12/h1-4,12,16-17H,5-11H2
InChIKeyHUBFDWFAHQUWRD-UHFFFAOYSA-N
XLogP2.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
N-(piperidin-4-ylmethyl)-2-(2,4,5-trimethylphenyl)ethanamine
CID 115210008
N-[(2-phenylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 155181758
2-(2-bromophenyl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210084
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 115209720
N-[(2-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451692
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
3-[2-[(2-bromo-4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 135174232

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine (CID 115210021) is 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine is Brc1ccccc1CCNCC1CCNCC1.
What is the InChIKey of 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is HUBFDWFAHQUWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c15-14-4-2-1-3-13(14)7-10-17-11-12-5-8-16-9-6-12/h1-4,12,16-17H,5-11H2.
What are the key properties of 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine?
2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 297.24 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 115210021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).