N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine

C14H23NO2 — CID 43472507

IUPACN-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCC)cc1OC
InChIInChI=1S/C14H23NO2/c1-4-8-15-11-12-6-7-13(17-9-5-2)10-14(12)16-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyGQTVOSUYVZWYEW-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.98
Rot. Bonds8

About N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine

N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine (PubChem CID 43472507) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
PubChem CID43472507
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCC)cc1OC
InChIInChI=1S/C14H23NO2/c1-4-8-15-11-12-6-7-13(17-9-5-2)10-14(12)16-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyGQTVOSUYVZWYEW-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
N-[[2-(3-methylbut-2-enoxy)-4-propoxyphenyl]methyl]propan-1-amine
CID 63500456
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345
N-[(2,4-dioctoxyphenyl)methyl]butan-1-amine
CID 54804875
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807495
N-[[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032736
2-[2-[(2-methoxyethylamino)methyl]-5-propoxyphenoxy]acetamide
CID 63061452

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine (CID 43472507) is N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine is CCCNCc1ccc(OCCC)cc1OC.
What is the InChIKey of N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine?
The InChIKey is GQTVOSUYVZWYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-8-15-11-12-6-7-13(17-9-5-2)10-14(12)16-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine?
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43472507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).