1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine

C18H21F2N — CID 43680989

IUPAC1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C18H21F2N/c1-11-5-7-16(12(2)9-11)14(4)21-13(3)15-6-8-17(19)18(20)10-15/h5-10,13-14,21H,1-4H3
InChIKeyBZTALBBZIIMUPA-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.99
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine

1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine (PubChem CID 43680989) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
PubChem CID43680989
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C18H21F2N/c1-11-5-7-16(12(2)9-11)14(4)21-13(3)15-6-8-17(19)18(20)10-15/h5-10,13-14,21H,1-4H3
InChIKeyBZTALBBZIIMUPA-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine
CID 81352684
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449279
N-[1-(2-chlorophenyl)ethyl]-1-(3,4-difluorophenyl)ethanamine
CID 43080283
4-[1-[1-(3,4-difluorophenyl)ethylamino]ethyl]phenol
CID 43680984
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol
CID 107715262
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
5-fluoro-2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]phenol
CID 81350079

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine (CID 43680989) is 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine is Cc1ccc(C(C)NC(C)c2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine?
The InChIKey is BZTALBBZIIMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-11-5-7-16(12(2)9-11)14(4)21-13(3)15-6-8-17(19)18(20)10-15/h5-10,13-14,21H,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine?
1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]ethanamine is sourced from PubChem (CID 43680989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).