N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine

C19H23BrFN — CID 18509501

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(C(C)(C)C)cc1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C19H23BrFN/c1-19(2,3)16-7-5-14(6-8-16)12-22(4)13-15-9-17(20)11-18(21)10-15/h5-11H,12-13H2,1-4H3
InChIKeyOTQLDQNGUHHCNF-UHFFFAOYSA-N
MW364.30 g/mol
LogP5.52
Rot. Bonds4

About N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine

N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine (PubChem CID 18509501) has the molecular formula C19H23BrFN and a molecular weight of 364.30 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
PubChem CID18509501
Molecular FormulaC19H23BrFN
Molecular Weight364.30 g/mol
Exact Mass363.10
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESCN(Cc1ccc(C(C)(C)C)cc1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C19H23BrFN/c1-19(2,3)16-7-5-14(6-8-16)12-22(4)13-15-9-17(20)11-18(21)10-15/h5-11H,12-13H2,1-4H3
InChIKeyOTQLDQNGUHHCNF-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.30
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 834406
CID 834406
CID 71459294
CID 71459294
CID 71462809
CID 71462809
CID 765192
CID 765192
CID 71459295
CID 71459295
CID 791409
CID 791409
CID 784276
CID 784276
CID 2058146
CID 2058146
CID 43123271
CID 43123271
CID 135031941
CID 135031941
CID 164666556
CID 164666556
CID 177853340
CID 177853340

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine (CID 18509501) is N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine is CN(Cc1ccc(C(C)(C)C)cc1)Cc1cc(F)cc(Br)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
The InChIKey is OTQLDQNGUHHCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrFN/c1-19(2,3)16-7-5-14(6-8-16)12-22(4)13-15-9-17(20)11-18(21)10-15/h5-11H,12-13H2,1-4H3.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine has a molecular weight of 364.30 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine is sourced from PubChem (CID 18509501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).