N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine

C22H28BrN — CID 18509445

IUPACN-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESC=C(C)c1cc(Br)cc(CN(C)Cc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28BrN/c1-16(2)19-11-18(12-21(23)13-19)15-24(6)14-17-7-9-20(10-8-17)22(3,4)5/h7-13H,1,14-15H2,2-6H3
InChIKeyLZLIJPZDEOEHJH-UHFFFAOYSA-N
MW386.38 g/mol
LogP6.41
Rot. Bonds5

About N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine

N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine (PubChem CID 18509445) has the molecular formula C22H28BrN and a molecular weight of 386.38 g/mol. Its IUPAC name is N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
PubChem CID18509445
Molecular FormulaC22H28BrN
Molecular Weight386.38 g/mol
Exact Mass385.14
IUPAC NameN-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
SMILESC=C(C)c1cc(Br)cc(CN(C)Cc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28BrN/c1-16(2)19-11-18(12-21(23)13-19)15-24(6)14-17-7-9-20(10-8-17)22(3,4)5/h7-13H,1,14-15H2,2-6H3
InChIKeyLZLIJPZDEOEHJH-UHFFFAOYSA-N
XLogP6.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.38
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-tert-butyl-5-prop-1-en-2-ylbenzene
CID 86719126
2-(3-bromo-5-prop-1-en-2-ylphenyl)ethanol
CID 117354295
N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine
CID 18333903
2-bromo-N-[(4-tert-butylphenyl)methyl]-N-methylethanamine
CID 80674852
N-[(4-tert-butylphenyl)methyl]-2-(3,4-difluorophenyl)-N-methylprop-2-en-1-amine
CID 18333869
N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 139921620
3-(3-bromo-5-prop-1-en-2-ylphenyl)propanal
CID 117385056
4-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-2-ethenylbenzonitrile
CID 18333844
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250873
3-[3-[(4-tert-butylphenyl)methyl-methylamino]prop-1-en-2-yl]benzonitrile
CID 18333905
2-[(3,5-dibromophenyl)methyl-methylamino]ethanol
CID 107972037
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
The IUPAC name of N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine (CID 18509445) is N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine is C=C(C)c1cc(Br)cc(CN(C)Cc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
The InChIKey is LZLIJPZDEOEHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN/c1-16(2)19-11-18(12-21(23)13-19)15-24(6)14-17-7-9-20(10-8-17)22(3,4)5/h7-13H,1,14-15H2,2-6H3.
What are the key properties of N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine?
N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine has a molecular weight of 386.38 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-prop-1-en-2-ylphenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine is sourced from PubChem (CID 18509445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).