6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine

C16H21N3O — CID 80871143

IUPAC6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C16H21N3O/c1-4-11-17-15-9-6-10-16(18-15)20-14-8-5-7-13(12-14)19(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18)
InChIKeyKVRXNUPOJZSRSF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.76
Rot. Bonds6

About 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine

6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine (PubChem CID 80871143) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
PubChem CID80871143
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2cccc(N(C)C)c2)n1
InChIInChI=1S/C16H21N3O/c1-4-11-17-15-9-6-10-16(18-15)20-14-8-5-7-13(12-14)19(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18)
InChIKeyKVRXNUPOJZSRSF-UHFFFAOYSA-N
XLogP3.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methylphenoxy)-N-propylpyridin-2-amine
CID 80869779
6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine
CID 80875365
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 80866499
6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
CID 80939069
6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine
CID 81325494
N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline
CID 62322084
6-(3-ethoxyphenoxy)-N-ethylpyridin-2-amine
CID 80873339
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
6-[(2-methylpropan-2-yl)oxy]-N-propylpyridin-2-amine
CID 80861017
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
N-ethyl-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864399

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine?
The IUPAC name of 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine (CID 80871143) is 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine is CCCNc1cccc(Oc2cccc(N(C)C)c2)n1.
What is the InChIKey of 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine?
The InChIKey is KVRXNUPOJZSRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-11-17-15-9-6-10-16(18-15)20-14-8-5-7-13(12-14)19(2)3/h5-10,12H,4,11H2,1-3H3,(H,17,18).
What are the key properties of 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine?
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine is sourced from PubChem (CID 80871143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).