1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine

C18H21F2N — CID 43484428

IUPAC1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H21F2N/c1-18(2,3)14-8-5-12(6-9-14)17(21-4)13-7-10-15(19)16(20)11-13/h5-11,17,21H,1-4H3
InChIKeyDDKIGXWCAKFBKB-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.57
Rot. Bonds3

About 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine

1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine (PubChem CID 43484428) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
PubChem CID43484428
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H21F2N/c1-18(2,3)14-8-5-12(6-9-14)17(21-4)13-7-10-15(19)16(20)11-13/h5-11,17,21H,1-4H3
InChIKeyDDKIGXWCAKFBKB-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(4-butan-2-ylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43483063
1-(3-chloro-4-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 63086652
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546
1-(4-tert-butylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 115805098
1-(3,4-difluorophenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43484544
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484333
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
1-(3,4-difluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 115374301
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine (CID 43484428) is 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine is CNC(c1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is DDKIGXWCAKFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-18(2,3)14-8-5-12(6-9-14)17(21-4)13-7-10-15(19)16(20)11-13/h5-11,17,21H,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine?
1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43484428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).