N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine

C14H14ClFN2 — CID 54944255

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
SMILESFc1cccc(Cl)c1CNCCc1ccncc1
InChIInChI=1S/C14H14ClFN2/c15-13-2-1-3-14(16)12(13)10-18-9-6-11-4-7-17-8-5-11/h1-5,7-8,18H,6,9-10H2
InChIKeyRQODAFSXCURINM-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.21
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 54944255) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
PubChem CID54944255
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
SMILESFc1cccc(Cl)c1CNCCc1ccncc1
InChIInChI=1S/C14H14ClFN2/c15-13-2-1-3-14(16)12(13)10-18-9-6-11-4-7-17-8-5-11/h1-5,7-8,18H,6,9-10H2
InChIKeyRQODAFSXCURINM-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315
4-[2-[(2-chloro-6-fluorophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 2969096
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 39402896
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209609
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
3-[(2-chloro-6-fluorophenyl)methylamino]propanenitrile
CID 28728531
3-[3-chloro-2-[(2-phenylethylamino)methyl]phenyl]propan-1-amine
CID 145489469
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 115405686
N-[(2-chloro-6-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294849
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319
2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700658
3-[2-(2-chloro-6-fluorophenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 71969304

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine (CID 54944255) is N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine is Fc1cccc(Cl)c1CNCCc1ccncc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is RQODAFSXCURINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c15-13-2-1-3-14(16)12(13)10-18-9-6-11-4-7-17-8-5-11/h1-5,7-8,18H,6,9-10H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine has a molecular weight of 264.73 g/mol, XLogP of 3.21, 5 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]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 54944255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).