1-phenyl-N-(propoxymethyl)methanamine

C11H17NO — CID 122494011

IUPAC1-phenyl-N-(propoxymethyl)methanamine
SMILESCCCOCNCc1ccccc1
InChIInChI=1S/C11H17NO/c1-2-8-13-10-12-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyNFFOVMMMQODCAR-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.16
Rot. Bonds6

About 1-phenyl-N-(propoxymethyl)methanamine

1-phenyl-N-(propoxymethyl)methanamine (PubChem CID 122494011) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-phenyl-N-(propoxymethyl)methanamine.

Molecular Properties

Compound Name1-phenyl-N-(propoxymethyl)methanamine
PubChem CID122494011
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-phenyl-N-(propoxymethyl)methanamine
SMILESCCCOCNCc1ccccc1
InChIInChI=1S/C11H17NO/c1-2-8-13-10-12-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKeyNFFOVMMMQODCAR-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-phenyl-N-(propoxymethyl)methanamine 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

2-[(benzylamino)methoxy]ethanol
CID 118685935
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N-benzylethanamine;tris(yttrium)
CID 158198357
N-benzylpropan-1-amine;ethane;propane
CID 145164103
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
N-benzyl-3-dipropoxysilylpropan-1-amine
CID 123489020
2-aminoethanol;2-(benzylamino)ethanol;methane;2-phenylmethoxyethanamine;propoxymethylbenzene
CID 159060226
azane;N-benzylbutan-1-amine
CID 175388745

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(propoxymethyl)methanamine?
The IUPAC name of 1-phenyl-N-(propoxymethyl)methanamine (CID 122494011) is 1-phenyl-N-(propoxymethyl)methanamine.
What is the SMILES notation for 1-phenyl-N-(propoxymethyl)methanamine?
The canonical SMILES for 1-phenyl-N-(propoxymethyl)methanamine is CCCOCNCc1ccccc1.
What is the InChIKey of 1-phenyl-N-(propoxymethyl)methanamine?
The InChIKey is NFFOVMMMQODCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-8-13-10-12-9-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3.
What are the key properties of 1-phenyl-N-(propoxymethyl)methanamine?
1-phenyl-N-(propoxymethyl)methanamine has a molecular weight of 179.26 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(propoxymethyl)methanamine is sourced from PubChem (CID 122494011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).