2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine

C15H22ClFN2 — CID 81144771

IUPAC2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1(C)CCCN(C(CN)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H22ClFN2/c1-15(2)6-3-7-19(10-15)14(9-18)11-4-5-13(17)12(16)8-11/h4-5,8,14H,3,6-7,9-10,18H2,1-2H3
InChIKeyVXZMYNBKRCTCQP-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.60
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine

2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine (PubChem CID 81144771) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine
PubChem CID81144771
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine
SMILESCC1(C)CCCN(C(CN)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C15H22ClFN2/c1-15(2)6-3-7-19(10-15)14(9-18)11-4-5-13(17)12(16)8-11/h4-5,8,14H,3,6-7,9-10,18H2,1-2H3
InChIKeyVXZMYNBKRCTCQP-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 81145379
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
2-(3-chloro-4-fluorophenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 81144547
1-[2-amino-1-(4-chlorophenyl)ethyl]-4-methylazepan-4-ol
CID 107403850
2-(3-chloro-4-methylphenyl)-2-piperidin-1-ylethanamine
CID 106817233
2-(azocan-1-yl)-2-(3-chloro-4-methylphenyl)ethanamine
CID 106817246
2-(2,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391282
2-(3,3-dimethylpiperidin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569630
2-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylpiperidin-1-yl)ethanamine
CID 81144769
2-(3-chloro-2-fluorophenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanamine
CID 114487997
3-(azepan-1-yl)-3-(3-chloro-4-fluorophenyl)propanoic acid
CID 81160650
2-(2,2-dimethylmorpholin-4-yl)-2-(4-fluoro-3-methylphenyl)ethanamine
CID 62121310

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine (CID 81144771) is 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine is CC1(C)CCCN(C(CN)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is VXZMYNBKRCTCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-15(2)6-3-7-19(10-15)14(9-18)11-4-5-13(17)12(16)8-11/h4-5,8,14H,3,6-7,9-10,18H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine?
2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 81144771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).