2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol

C14H24N2O2 — CID 66336556

IUPAC2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
SMILESCCCNCC(C)(O)COCCc1ccccn1
InChIInChI=1S/C14H24N2O2/c1-3-8-15-11-14(2,17)12-18-10-7-13-6-4-5-9-16-13/h4-6,9,15,17H,3,7-8,10-12H2,1-2H3
InChIKeyPIKXAQMFWUHGPF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.39
Rot. Bonds9

About 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol

2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol (PubChem CID 66336556) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
PubChem CID66336556
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol
SMILESCCCNCC(C)(O)COCCc1ccccn1
InChIInChI=1S/C14H24N2O2/c1-3-8-15-11-14(2,17)12-18-10-7-13-6-4-5-9-16-13/h4-6,9,15,17H,3,7-8,10-12H2,1-2H3
InChIKeyPIKXAQMFWUHGPF-UHFFFAOYSA-N
XLogP1.39
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(2-pyridin-2-ylethoxy)ethyl]propan-2-amine
CID 62456481
2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanehydrazide
CID 79628320
methyl 2,2-dimethyl-3-(2-pyridin-2-ylethoxy)propanoate
CID 79622873
2,2-dimethyl-N-propan-2-yl-3-(2-pyridin-2-ylethoxy)propan-1-amine
CID 79626684
1-(ethylamino)-2-methyl-3-pyridin-2-ylpropan-2-ol
CID 66039373
2-methyl-1-octoxy-3-(propylamino)propan-2-ol
CID 66335798
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
CID 134462825
N-[[2-(2-pyridin-2-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62455387
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62262340
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
CID 106146853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol (CID 66336556) is 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol is CCCNCC(C)(O)COCCc1ccccn1.
What is the InChIKey of 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
The InChIKey is PIKXAQMFWUHGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-8-15-11-14(2,17)12-18-10-7-13-6-4-5-9-16-13/h4-6,9,15,17H,3,7-8,10-12H2,1-2H3.
What are the key properties of 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol?
2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propylamino)-3-(2-pyridin-2-ylethoxy)propan-2-ol is sourced from PubChem (CID 66336556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).