1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine

C17H21ClN2 — CID 105140506

IUPAC1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccncc1Cl
InChIInChI=1S/C17H21ClN2/c1-17(2,3)13-7-5-12(6-8-13)16(19-4)14-9-10-20-11-15(14)18/h5-11,16,19H,1-4H3
InChIKeyZQBDXAXFMREMJO-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.34
Rot. Bonds3

About 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine

1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine (PubChem CID 105140506) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
PubChem CID105140506
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)c1ccncc1Cl
InChIInChI=1S/C17H21ClN2/c1-17(2,3)13-7-5-12(6-8-13)16(19-4)14-9-10-20-11-15(14)18/h5-11,16,19H,1-4H3
InChIKeyZQBDXAXFMREMJO-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 105140466
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
1-(3-chloro-4-pyridinyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105140857
1-(3-chloro-4-pyridinyl)-1-(furan-3-yl)-N-methylmethanamine
CID 105146775
1-(3-chloro-4-pyridinyl)-N,2,2-trimethylpropan-1-amine
CID 105146074
1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
CID 106857422
1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085542
1-(3-chloro-4-pyridinyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 105093667
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105171386
[2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105296557
1-(5-bromo-2-chlorophenyl)-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 43484397
1-(3-chloro-4-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105145337

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine (CID 105140506) is 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine is CNC(c1ccc(C(C)(C)C)cc1)c1ccncc1Cl.
What is the InChIKey of 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine?
The InChIKey is ZQBDXAXFMREMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-17(2,3)13-7-5-12(6-8-13)16(19-4)14-9-10-20-11-15(14)18/h5-11,16,19H,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine?
1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine has a molecular weight of 288.82 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 105140506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).