N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine

C21H26ClN — CID 139921620

IUPACN-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine
SMILESC=C(CN(C)Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN/c1-16(18-8-12-20(22)13-9-18)14-23(5)15-17-6-10-19(11-7-17)21(2,3)4/h6-13H,1,14-15H2,2-5H3
InChIKeyJHJILOORJRBWEC-UHFFFAOYSA-N
MW327.90 g/mol
LogP5.78
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine

N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine (PubChem CID 139921620) has the molecular formula C21H26ClN and a molecular weight of 327.90 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine
PubChem CID139921620
Molecular FormulaC21H26ClN
Molecular Weight327.90 g/mol
Exact Mass327.18
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine
SMILESC=C(CN(C)Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN/c1-16(18-8-12-20(22)13-9-18)14-23(5)15-17-6-10-19(11-7-17)21(2,3)4/h6-13H,1,14-15H2,2-5H3
InChIKeyJHJILOORJRBWEC-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.90
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-(3,4-difluorophenyl)-N-methylprop-2-en-1-amine
CID 18333869
N-[(4-tert-butylphenyl)methyl]-N-methyl-2-naphthalen-2-ylprop-2-en-1-amine
CID 18333903
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
3-[3-[(4-tert-butylphenyl)methyl-methylamino]prop-1-en-2-yl]benzonitrile
CID 18333905
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095
N-methyl-N-[[4-(2-phenylpropan-2-yl)phenyl]methyl]-2-thiophen-3-ylprop-2-en-1-amine
CID 139821189
N-[(4-tert-butylphenyl)methyl]-N-ethyl-2-phenylprop-2-en-1-amine
CID 18333919
N-[(4-tert-butylphenyl)methyl]-2-phenyl-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 18333856
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutan-1-amine
CID 71037021

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine (CID 139921620) is N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine is C=C(CN(C)Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine?
The InChIKey is JHJILOORJRBWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN/c1-16(18-8-12-20(22)13-9-18)14-23(5)15-17-6-10-19(11-7-17)21(2,3)4/h6-13H,1,14-15H2,2-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine?
N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine has a molecular weight of 327.90 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 139921620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).