6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine

C14H17N3 — CID 83121870

IUPAC6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine
SMILESC[C@H](N)c1ccc(N(C)c2ccccc2)cn1
InChIInChI=1S/C14H17N3/c1-11(15)14-9-8-13(10-16-14)17(2)12-6-4-3-5-7-12/h3-11H,15H2,1-2H3/t11-/m0/s1
InChIKeyMEXWBUSKRVUNJW-NSHDSACASA-N
MW227.31 g/mol
LogP2.87
Rot. Bonds3

About 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine

6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine (PubChem CID 83121870) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine
PubChem CID83121870
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine
SMILESC[C@H](N)c1ccc(N(C)c2ccccc2)cn1
InChIInChI=1S/C14H17N3/c1-11(15)14-9-8-13(10-16-14)17(2)12-6-4-3-5-7-12/h3-11H,15H2,1-2H3/t11-/m0/s1
InChIKeyMEXWBUSKRVUNJW-NSHDSACASA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine (CID 83121870) is 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine is C[C@H](N)c1ccc(N(C)c2ccccc2)cn1.
What is the InChIKey of 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine?
The InChIKey is MEXWBUSKRVUNJW-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3/c1-11(15)14-9-8-13(10-16-14)17(2)12-6-4-3-5-7-12/h3-11H,15H2,1-2H3/t11-/m0/s1.
What are the key properties of 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine?
6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine has a molecular weight of 227.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine is sourced from PubChem (CID 83121870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).