N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine

C16H21N3 — CID 107875191

IUPACN-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1ccc(NCc2ccc(N)cc2)nc1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-6-9-15(19-11-13)18-10-12-4-7-14(17)8-5-12/h4-9,11H,10,17H2,1-3H3,(H,18,19)
InChIKeyDLRIUSCTFYVFIE-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.57
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine

N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine (PubChem CID 107875191) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
PubChem CID107875191
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
SMILESCC(C)(C)c1ccc(NCc2ccc(N)cc2)nc1
InChIInChI=1S/C16H21N3/c1-16(2,3)13-6-9-15(19-11-13)18-10-12-4-7-14(17)8-5-12/h4-9,11H,10,17H2,1-3H3,(H,18,19)
InChIKeyDLRIUSCTFYVFIE-UHFFFAOYSA-N
XLogP3.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline
CID 107874976
5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 107874733
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 54936126
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
CID 80652487
N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
CID 107875193
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
CID 62503194
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 511956
N-benzyl-5-ethylpyridin-2-amine
CID 53404811
5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine (CID 107875191) is N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine is CC(C)(C)c1ccc(NCc2ccc(N)cc2)nc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine?
The InChIKey is DLRIUSCTFYVFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)13-6-9-15(19-11-13)18-10-12-4-7-14(17)8-5-12/h4-9,11H,10,17H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine?
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine is sourced from PubChem (CID 107875191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).