N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline

C17H23N3O — CID 62322084

IUPACN,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline
SMILESCC(C)NCc1cccc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C17H23N3O/c1-13(2)18-12-14-7-5-10-17(19-14)21-16-9-6-8-15(11-16)20(3)4/h5-11,13,18H,12H2,1-4H3
InChIKeyDXPRVANDGWGLMP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.44
Rot. Bonds6

About N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline

N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline (PubChem CID 62322084) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline
PubChem CID62322084
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline
SMILESCC(C)NCc1cccc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C17H23N3O/c1-13(2)18-12-14-7-5-10-17(19-14)21-16-9-6-8-15(11-16)20(3)4/h5-11,13,18H,12H2,1-4H3
InChIKeyDXPRVANDGWGLMP-UHFFFAOYSA-N
XLogP3.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
CID 63942132
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298102
N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
N,N-dimethyl-3-[6-(methylaminomethyl)pyrazin-2-yl]oxyaniline
CID 66449849
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
CID 80871143
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437
N-[[6-(3-bromophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450240
N-[[6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 55058800
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[[6-(2,3-difluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 63038557
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline?
The IUPAC name of N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline (CID 62322084) is N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline is CC(C)NCc1cccc(Oc2cccc(N(C)C)c2)n1.
What is the InChIKey of N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline?
The InChIKey is DXPRVANDGWGLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(2)18-12-14-7-5-10-17(19-14)21-16-9-6-8-15(11-16)20(3)4/h5-11,13,18H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline?
N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline has a molecular weight of 285.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline is sourced from PubChem (CID 62322084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).