N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine

C19H26N2O — CID 139506620

IUPACN,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine
SMILESCCC(C)Cc1cccc(OCc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C19H26N2O/c1-5-15(2)11-16-7-6-8-18(12-16)22-14-17-9-10-19(20-13-17)21(3)4/h6-10,12-13,15H,5,11,14H2,1-4H3
InChIKeyHTEZBXXWZQXSBG-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.32
Rot. Bonds7

About N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine

N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine (PubChem CID 139506620) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine
PubChem CID139506620
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine
SMILESCCC(C)Cc1cccc(OCc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C19H26N2O/c1-5-15(2)11-16-7-6-8-18(12-16)22-14-17-9-10-19(20-13-17)21(3)4/h6-10,12-13,15H,5,11,14H2,1-4H3
InChIKeyHTEZBXXWZQXSBG-UHFFFAOYSA-N
XLogP4.32
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
1-[3-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 54929362
1,3-bis[(2S)-2-methylbutyl]benzene
CID 102208674
5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide
CID 71499387
1-[5-[(3-ethylphenoxy)methyl]-2-pyridinyl]-6-methyloctan-1-one
CID 123488997
[3-[(2S)-2-methylbutyl]phenoxy]methylcycloheptane
CID 126609950
N-methyl-2-[3-(2-methylbutyl)phenoxy]acetamide
CID 138724732
10-[3-[(2S)-2-methylbutyl]phenoxy]decanoic acid
CID 59600109
5-[[3-(dimethylamino)phenoxy]methyl]-N-ethylpyridin-2-amine
CID 62187827
(2R)-2-methyl-3-[3-(2-propylpentoxy)phenyl]propan-1-amine
CID 126619606
N-ethyl-5-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 62195699
N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
CID 30271698

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine (CID 139506620) is N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine is CCC(C)Cc1cccc(OCc2ccc(N(C)C)nc2)c1.
What is the InChIKey of N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine?
The InChIKey is HTEZBXXWZQXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-5-15(2)11-16-7-6-8-18(12-16)22-14-17-9-10-19(20-13-17)21(3)4/h6-10,12-13,15H,5,11,14H2,1-4H3.
What are the key properties of N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine?
N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine has a molecular weight of 298.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine is sourced from PubChem (CID 139506620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).