N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine

C14H20ClFN2 — CID 60806803

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
SMILESCCN(Cc1c(F)cccc1Cl)C1CCNCC1
InChIInChI=1S/C14H20ClFN2/c1-2-18(11-6-8-17-9-7-11)10-12-13(15)4-3-5-14(12)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyKDKCKZSQUNQIMH-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.05
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine (PubChem CID 60806803) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
PubChem CID60806803
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
SMILESCCN(Cc1c(F)cccc1Cl)C1CCNCC1
InChIInChI=1S/C14H20ClFN2/c1-2-18(11-6-8-17-9-7-11)10-12-13(15)4-3-5-14(12)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyKDKCKZSQUNQIMH-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 114930841
2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 60801937
N-[(2,6-dichlorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66182519
N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-[(2-chloro-6-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715282
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 69063197
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 56703514
N-(2-bromoethyl)-N-[(2-chloro-6-fluorophenyl)methyl]cyclopentanamine
CID 80673133
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
ethyl 2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]acetate
CID 60697155

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine (CID 60806803) is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine is CCN(Cc1c(F)cccc1Cl)C1CCNCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine?
The InChIKey is KDKCKZSQUNQIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-2-18(11-6-8-17-9-7-11)10-12-13(15)4-3-5-14(12)16/h3-5,11,17H,2,6-10H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine is sourced from PubChem (CID 60806803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).