N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine

C17H19ClFN — CID 43487968

IUPACN-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFN/c1-4-20-17(13-6-5-11(2)12(3)9-13)15-8-7-14(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeySYLQMFBRPISBBL-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.79
Rot. Bonds4

About N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine

N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine (PubChem CID 43487968) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
PubChem CID43487968
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H19ClFN/c1-4-20-17(13-6-5-11(2)12(3)9-13)15-8-7-14(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeySYLQMFBRPISBBL-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-[(4-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493615
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178
N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105022572
N-[(4-bromo-3-fluorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022728
N-[(3,4-dimethylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62515681
N-[(4-bromo-3-chlorophenyl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 105022476
N-[(2-bromo-3,4-difluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107539382
N-[(3-bromo-4-methylphenyl)-(4-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 105022696
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 107561868

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine (CID 43487968) is N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)c1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is SYLQMFBRPISBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-4-20-17(13-6-5-11(2)12(3)9-13)15-8-7-14(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine?
N-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)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-[(4-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43487968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).