N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine

C16H17ClFNO — CID 39402896

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-20-13-5-2-4-12(10-13)8-9-19-11-14-15(17)6-3-7-16(14)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyDSVSZIHURBBXKY-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.82
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine (PubChem CID 39402896) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
PubChem CID39402896
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-20-13-5-2-4-12(10-13)8-9-19-11-14-15(17)6-3-7-16(14)18/h2-7,10,19H,8-9,11H2,1H3
InChIKeyDSVSZIHURBBXKY-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.82
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
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
1-(2-chloro-6-fluorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108896691
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944255
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290505
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
(1S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376672
3-fluoro-5-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 104878638
3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-2-(3-methoxyphenyl)ethanamine;hydrochloride
CID 126966531

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine (CID 39402896) is N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine is COc1cccc(CCNCc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine?
The InChIKey is DSVSZIHURBBXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-20-13-5-2-4-12(10-13)8-9-19-11-14-15(17)6-3-7-16(14)18/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanamine has a molecular weight of 293.77 g/mol, XLogP of 3.82, 6 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-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 39402896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).