2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine

C13H22N2O — CID 81255020

IUPAC2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCCCOc1ccncc1CNC(C)(C)C
InChIInChI=1S/C13H22N2O/c1-5-8-16-12-6-7-14-9-11(12)10-15-13(2,3)4/h6-7,9,15H,5,8,10H2,1-4H3
InChIKeyDTRSBDGPTQQRHS-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.76
Rot. Bonds5

About 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine

2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine (PubChem CID 81255020) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
PubChem CID81255020
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
SMILESCCCOc1ccncc1CNC(C)(C)C
InChIInChI=1S/C13H22N2O/c1-5-8-16-12-6-7-14-9-11(12)10-15-13(2,3)4/h6-7,9,15H,5,8,10H2,1-4H3
InChIKeyDTRSBDGPTQQRHS-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405855
1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
CID 81250486
2-methyl-N-[[4-(3-methylbutan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81251051
N-[(4-hexoxy-3-pyridinyl)methyl]ethanamine
CID 81255386
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250387
N-[[4-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82957136
N-[[4-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254211
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81250294
N-[[4-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254059
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine (CID 81255020) is 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine is CCCOc1ccncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine?
The InChIKey is DTRSBDGPTQQRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-8-16-12-6-7-14-9-11(12)10-15-13(2,3)4/h6-7,9,15H,5,8,10H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine?
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 81255020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).