N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

C15H22ClFN2 — CID 106624365

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cc(Cl)ccc1F)CC1CCCNC1
InChIInChI=1S/C15H22ClFN2/c1-2-19(10-12-4-3-7-18-9-12)11-13-8-14(16)5-6-15(13)17/h5-6,8,12,18H,2-4,7,9-11H2,1H3
InChIKeyMATJIDDBDXQOQK-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.30
Rot. Bonds5

About N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine

N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106624365) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106624365
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cc(Cl)ccc1F)CC1CCCNC1
InChIInChI=1S/C15H22ClFN2/c1-2-19(10-12-4-3-7-18-9-12)11-13-8-14(16)5-6-15(13)17/h5-6,8,12,18H,2-4,7,9-11H2,1H3
InChIKeyMATJIDDBDXQOQK-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640868
N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624705
4-chloro-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625458
N-[(3-chloro-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624521
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104870097
N-[(4-chlorophenyl)methyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23137005
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (CID 106624365) is N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is CCN(Cc1cc(Cl)ccc1F)CC1CCCNC1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is MATJIDDBDXQOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-2-19(10-12-4-3-7-18-9-12)11-13-8-14(16)5-6-15(13)17/h5-6,8,12,18H,2-4,7,9-11H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106624365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).