N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

C15H22BrFN2 — CID 81437108

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(Br)c(F)c1)CC1CCNCC1
InChIInChI=1S/C15H22BrFN2/c1-2-19(10-12-5-7-18-8-6-12)11-13-3-4-14(16)15(17)9-13/h3-4,9,12,18H,2,5-8,10-11H2,1H3
InChIKeyRYTMRVRWJLAJEJ-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.41
Rot. Bonds5

About N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 81437108) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID81437108
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(Br)c(F)c1)CC1CCNCC1
InChIInChI=1S/C15H22BrFN2/c1-2-19(10-12-5-7-18-8-6-12)11-13-3-4-14(16)15(17)9-13/h3-4,9,12,18H,2,5-8,10-11H2,1H3
InChIKeyRYTMRVRWJLAJEJ-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715386
N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716481
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120858313
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714
4-bromo-N-ethyl-3-fluoro-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650164
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
N-[(4-bromo-3-fluorophenyl)methyl]-N-ethylazetidin-3-amine
CID 81437386
N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79700398
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
N-(cyclobutylmethyl)-N-[(3-fluoro-4-nitrophenyl)methyl]ethanamine
CID 107398261

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 81437108) is N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1ccc(Br)c(F)c1)CC1CCNCC1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is RYTMRVRWJLAJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-2-19(10-12-5-7-18-8-6-12)11-13-3-4-14(16)15(17)9-13/h3-4,9,12,18H,2,5-8,10-11H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 329.26 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 81437108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).