N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine

C16H16Cl2FNO — CID 60789929

IUPACN-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(C)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-10(15-8-14(19)3-4-16(15)21-2)20-9-11-5-12(17)7-13(18)6-11/h3-8,10,20H,9H2,1-2H3
InChIKeyHPGXTQUIDSJDRM-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.99
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine

N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 60789929) has the molecular formula C16H16Cl2FNO and a molecular weight of 328.21 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
PubChem CID60789929
Molecular FormulaC16H16Cl2FNO
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1C(C)NCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2FNO/c1-10(15-8-14(19)3-4-16(15)21-2)20-9-11-5-12(17)7-13(18)6-11/h3-8,10,20H,9H2,1-2H3
InChIKeyHPGXTQUIDSJDRM-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103776734
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
N-[(4-bromo-3-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 80997736
1-(5-fluoro-2-methoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943695
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 115695829
1-(5-fluoro-2-methoxyphenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66415533
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 119165246
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 43224440
N'-tert-butyl-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 107445151
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine (CID 60789929) is N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine is COc1ccc(F)cc1C(C)NCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is HPGXTQUIDSJDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO/c1-10(15-8-14(19)3-4-16(15)21-2)20-9-11-5-12(17)7-13(18)6-11/h3-8,10,20H,9H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine?
N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine has a molecular weight of 328.21 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 60789929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).