N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine

C16H17ClFNO — CID 43410931

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CNCCc1cccc(F)c1
InChIInChI=1S/C16H17ClFNO/c1-20-16-6-5-14(17)10-13(16)11-19-8-7-12-3-2-4-15(18)9-12/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyWLHKHOKUAQRNII-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.82
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine (PubChem CID 43410931) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine
PubChem CID43410931
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CNCCc1cccc(F)c1
InChIInChI=1S/C16H17ClFNO/c1-20-16-6-5-14(17)10-13(16)11-19-8-7-12-3-2-4-15(18)9-12/h2-6,9-10,19H,7-8,11H2,1H3
InChIKeyWLHKHOKUAQRNII-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-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315529
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4716351
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43423933
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(3-fluorophenyl)ethanamine;oxalic acid
CID 17367514
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 60695369
(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632586
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081267
2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 2163779
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine (CID 43410931) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine is COc1ccc(Cl)cc1CNCCc1cccc(F)c1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine?
The InChIKey is WLHKHOKUAQRNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-20-16-6-5-14(17)10-13(16)11-19-8-7-12-3-2-4-15(18)9-12/h2-6,9-10,19H,7-8,11H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)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-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43410931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).