1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine

C19H24ClN — CID 106857422

IUPAC1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-13-6-11-16(17(20)12-13)18(21-5)14-7-9-15(10-8-14)19(2,3)4/h6-12,18,21H,1-5H3
InChIKeyFEKUEIUXNVVXLV-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.25
Rot. Bonds3

About 1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine

1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine (PubChem CID 106857422) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
PubChem CID106857422
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-13-6-11-16(17(20)12-13)18(21-5)14-7-9-15(10-8-14)19(2,3)4/h6-12,18,21H,1-5H3
InChIKeyFEKUEIUXNVVXLV-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-[bromo-(4-tert-butylphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863049
1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 43484397
1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106857455
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167
1-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 106857438
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 105140506
1-(2-chloro-4-methylphenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 106857038
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43484460

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine (CID 106857422) is 1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(C(C)(C)C)cc1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is FEKUEIUXNVVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-13-6-11-16(17(20)12-13)18(21-5)14-7-9-15(10-8-14)19(2,3)4/h6-12,18,21H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine?
1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.25, 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-(2-chloro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106857422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).