N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine

C15H22ClFN2 — CID 114452786

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
SMILESCCN1CCC(CNCc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C15H22ClFN2/c1-2-19-5-3-12(4-6-19)10-18-11-13-7-14(16)9-15(17)8-13/h7-9,12,18H,2-6,10-11H2,1H3
InChIKeyKQEZHXGSYFHVGK-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.30
Rot. Bonds5

About N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine

N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine (PubChem CID 114452786) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
PubChem CID114452786
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
SMILESCCN1CCC(CNCc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C15H22ClFN2/c1-2-19-5-3-12(4-6-19)10-18-11-13-7-14(16)9-15(17)8-13/h7-9,12,18H,2-6,10-11H2,1H3
InChIKeyKQEZHXGSYFHVGK-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

1-(1-ethylpiperidin-4-yl)-N-[(3-fluoro-5-nitrophenyl)methyl]methanamine
CID 115980412
1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968095
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 115761800
[2-[[(3-chloro-5-fluorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 114452962
N-[(2-bromo-4-chlorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 81497827
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
2-[4-[[(1-ethylpiperidin-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103245859
4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-2,6-dimethoxyphenol
CID 60855504
2-[(3-chloro-5-fluorophenyl)methylamino]-1-cyclopropylethanol
CID 114452879
N-[(3-fluoro-5-nitrophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115980411
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856676
N-[(3-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114452769

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine (CID 114452786) is N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine is CCN1CCC(CNCc2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine?
The InChIKey is KQEZHXGSYFHVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-2-19-5-3-12(4-6-19)10-18-11-13-7-14(16)9-15(17)8-13/h7-9,12,18H,2-6,10-11H2,1H3.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine?
N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine 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-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine is sourced from PubChem (CID 114452786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).