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

C17H19ClFN — CID 115852524

IUPACN-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1ccc(F)cc1C
InChIInChI=1S/C17H19ClFN/c1-4-20-17(13-6-5-11(2)16(18)10-13)15-8-7-14(19)9-12(15)3/h5-10,17,20H,4H2,1-3H3
InChIKeySEGGJOFDKQPSGR-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.79
Rot. Bonds4

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

N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 115852524) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID115852524
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Cl)c1)c1ccc(F)cc1C
InChIInChI=1S/C17H19ClFN/c1-4-20-17(13-6-5-11(2)16(18)10-13)15-8-7-14(19)9-12(15)3/h5-10,17,20H,4H2,1-3H3
InChIKeySEGGJOFDKQPSGR-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107560861
N-[(4-fluoro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 63412127
N-[(2-bromo-5-fluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107562122
N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62790553
N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561868
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615
N-[(3-chloro-4-methylphenyl)-(3-methyl-4-pyridinyl)methyl]ethanamine
CID 107560626
N-[(5-fluoro-2-methylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 62388086
N-[(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105397062
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81269079

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine (CID 115852524) is N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(Cl)c1)c1ccc(F)cc1C.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is SEGGJOFDKQPSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-4-20-17(13-6-5-11(2)16(18)10-13)15-8-7-14(19)9-12(15)3/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine?
N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115852524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).