N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine

C19H26N2 — CID 62548712

IUPACN-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)c1ncccc1C
InChIInChI=1S/C19H26N2/c1-6-20-18(17-14(2)8-7-13-21-17)15-9-11-16(12-10-15)19(3,4)5/h7-13,18,20H,6H2,1-5H3
InChIKeyGNJNMJTUTHVSPZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.39
Rot. Bonds4

About N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine

N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 62548712) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID62548712
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)c1ncccc1C
InChIInChI=1S/C19H26N2/c1-6-20-18(17-14(2)8-7-13-21-17)15-9-11-16(12-10-15)19(3,4)5/h7-13,18,20H,6H2,1-5H3
InChIKeyGNJNMJTUTHVSPZ-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 62548191
N-[(4-tert-butylphenyl)-phenylmethyl]ethanamine
CID 43489132
N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82732767
N-[(3-fluoro-4-methylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 107129067
N-[(3-chloro-4-methylphenyl)-(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 107560643
N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 79595213
N-[(2,4-difluorophenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 62801368
N-[1-benzofuran-2-yl-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 114728202
N-[[(1E)-cycloocten-1-yl]-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 106652706
N-[(4-tert-butylphenyl)-(4-fluorophenyl)methyl]-3-methylpyridin-2-amine
CID 71661923
N-[(4-tert-butylphenyl)-[4-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
CID 71661925
[(4-tert-butylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203825

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine (CID 62548712) is N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C(C)(C)C)cc1)c1ncccc1C.
What is the InChIKey of N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is GNJNMJTUTHVSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-6-20-18(17-14(2)8-7-13-21-17)15-9-11-16(12-10-15)19(3,4)5/h7-13,18,20H,6H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine?
N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)-(3-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62548712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).