N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline

C16H20N2 — CID 112650045

IUPACN-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline
SMILESCc1cccnc1CNc1cccc(C(C)C)c1
InChIInChI=1S/C16H20N2/c1-12(2)14-7-4-8-15(10-14)18-11-16-13(3)6-5-9-17-16/h4-10,12,18H,11H2,1-3H3
InChIKeyBWQPZDIBYXXZIZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.13
Rot. Bonds4

About N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline

N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline (PubChem CID 112650045) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline
PubChem CID112650045
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline
SMILESCc1cccnc1CNc1cccc(C(C)C)c1
InChIInChI=1S/C16H20N2/c1-12(2)14-7-4-8-15(10-14)18-11-16-13(3)6-5-9-17-16/h4-10,12,18H,11H2,1-3H3
InChIKeyBWQPZDIBYXXZIZ-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650029
3-ethoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650113
1-[3-(1-aminoethyl)phenyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 63309337
N-[(3-methyl-2-pyridinyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 55204242
4-ethyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650022
N-[(3-methyl-2-pyridinyl)methyl]thiophen-3-amine
CID 112650234
3-N-methyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534595
3-N-ethyl-5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3,5-diamine
CID 113424030
3-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662434
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919
4-[(3-methyl-2-pyridinyl)methylamino]benzamide
CID 112649993
3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
CID 60719749

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline (CID 112650045) is N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline is Cc1cccnc1CNc1cccc(C(C)C)c1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline?
The InChIKey is BWQPZDIBYXXZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(2)14-7-4-8-15(10-14)18-11-16-13(3)6-5-9-17-16/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline?
N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline has a molecular weight of 240.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-3-propan-2-ylaniline is sourced from PubChem (CID 112650045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).