N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine

C16H20N2O — CID 134880558

IUPACN,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine
SMILESC[C@H](OCc1ccccc1)c1cc(N(C)C)ccn1
InChIInChI=1S/C16H20N2O/c1-13(19-12-14-7-5-4-6-8-14)16-11-15(18(2)3)9-10-17-16/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeyPFVDKUDUIAOQIS-ZDUSSCGKSA-N
MW256.35 g/mol
LogP3.43
Rot. Bonds5

About N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine

N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine (PubChem CID 134880558) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine
PubChem CID134880558
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine
SMILESC[C@H](OCc1ccccc1)c1cc(N(C)C)ccn1
InChIInChI=1S/C16H20N2O/c1-13(19-12-14-7-5-4-6-8-14)16-11-15(18(2)3)9-10-17-16/h4-11,13H,12H2,1-3H3/t13-/m0/s1
InChIKeyPFVDKUDUIAOQIS-ZDUSSCGKSA-N
XLogP3.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine?
The IUPAC name of N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine (CID 134880558) is N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine is C[C@H](OCc1ccccc1)c1cc(N(C)C)ccn1.
What is the InChIKey of N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine?
The InChIKey is PFVDKUDUIAOQIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(19-12-14-7-5-4-6-8-14)16-11-15(18(2)3)9-10-17-16/h4-11,13H,12H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine?
N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S)-1-phenylmethoxyethyl]pyridin-4-amine is sourced from PubChem (CID 134880558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).