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

C16H17ClFNO — CID 105394636

IUPACN-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-19-16(11-5-4-6-13(9-11)20-2)14-10-12(18)7-8-15(14)17/h4-10,16,19H,3H2,1-2H3
InChIKeyPMZLNHIAVUGCLZ-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.19
Rot. Bonds5

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

N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 105394636) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID105394636
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-19-16(11-5-4-6-13(9-11)20-2)14-10-12(18)7-8-15(14)17/h4-10,16,19H,3H2,1-2H3
InChIKeyPMZLNHIAVUGCLZ-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4,5-difluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107476523
1-(2-chloro-5-fluorophenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 105394635
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 64712795
N-[(2-bromo-5-methoxyphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092648
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 43493094
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3-chlorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490220
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine (CID 105394636) is N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is PMZLNHIAVUGCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-19-16(11-5-4-6-13(9-11)20-2)14-10-12(18)7-8-15(14)17/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105394636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).