1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine

C16H20N2O — CID 61167930

IUPAC1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-13-5-7-16(8-6-13)19-12-14(2)18-11-15-4-3-9-17-10-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyBCBFBTPSDISSFP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.95
Rot. Bonds6

About 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine

1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine (PubChem CID 61167930) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
PubChem CID61167930
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
SMILESCc1ccc(OCC(C)NCc2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-13-5-7-16(8-6-13)19-12-14(2)18-11-15-4-3-9-17-10-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyBCBFBTPSDISSFP-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 97321622
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
1-(2-methoxyethoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 115655378
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
N-[(3,4-difluorophenyl)methyl]-1-(4-methylphenoxy)propan-2-amine
CID 61167924
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543
4-chloro-N-(pyridin-3-ylmethyl)butan-2-amine
CID 83187736
(2R)-1-(4-methylphenoxy)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]propan-2-amine
CID 97222553
1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
CID 61168691
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine (CID 61167930) is 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine is Cc1ccc(OCC(C)NCc2cccnc2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
The InChIKey is BCBFBTPSDISSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-5-7-16(8-6-13)19-12-14(2)18-11-15-4-3-9-17-10-15/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine?
1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 61167930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).