N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine

C17H19ClFNO — CID 43493615

IUPACN-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFNO/c1-4-20-17(14-7-6-13(18)10-15(14)19)12-5-8-16(21-3)11(2)9-12/h5-10,17,20H,4H2,1-3H3
InChIKeyMUIWDTQIPMWFLO-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.50
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine

N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine (PubChem CID 43493615) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
PubChem CID43493615
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(C)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFNO/c1-4-20-17(14-7-6-13(18)10-15(14)19)12-5-8-16(21-3)11(2)9-12/h5-10,17,20H,4H2,1-3H3
InChIKeyMUIWDTQIPMWFLO-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(2,4-difluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493625
N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105022572
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487968
N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
N-[(5-bromo-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493610
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(3-chloro-5-methylphenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81316265
N-[(4-chloro-2-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 63081777
N-[(4-fluoro-3-methylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792226
N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine (CID 43493615) is N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(C)c1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
The InChIKey is MUIWDTQIPMWFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-4-20-17(14-7-6-13(18)10-15(14)19)12-5-8-16(21-3)11(2)9-12/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine?
N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine has a molecular weight of 307.80 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43493615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).