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

C12H20N2O — CID 105075109

IUPACN-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCCCOc1cnccc1CNC(C)C
InChIInChI=1S/C12H20N2O/c1-4-7-15-12-9-13-6-5-11(12)8-14-10(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyLRNFYMFXAQCVAN-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.37
Rot. Bonds6

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

N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine (PubChem CID 105075109) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
PubChem CID105075109
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
SMILESCCCOc1cnccc1CNC(C)C
InChIInChI=1S/C12H20N2O/c1-4-7-15-12-9-13-6-5-11(12)8-14-10(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyLRNFYMFXAQCVAN-UHFFFAOYSA-N
XLogP2.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 105075920
N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
N-[(4-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 61267266
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 115505738
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[[3-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075221
N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075167
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911

Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine (CID 105075109) is N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine is CCCOc1cnccc1CNC(C)C.
What is the InChIKey of N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine?
The InChIKey is LRNFYMFXAQCVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-7-15-12-9-13-6-5-11(12)8-14-10(2)3/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine?
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine has a molecular weight of 208.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine is sourced from PubChem (CID 105075109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).