N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine

C19H25NO — CID 115952747

IUPACN-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(C)c1OC(C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-13-20-14-18-12-8-9-15(2)19(18)21-16(3)17-10-6-5-7-11-17/h5-12,16,20H,4,13-14H2,1-3H3
InChIKeyARBJTINDIVRFEG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.63
Rot. Bonds7

About N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine

N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 115952747) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
PubChem CID115952747
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(C)c1OC(C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-13-20-14-18-12-8-9-15(2)19(18)21-16(3)17-10-6-5-7-11-17/h5-12,16,20H,4,13-14H2,1-3H3
InChIKeyARBJTINDIVRFEG-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-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-chloro-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115953077
ethyl 2-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 115952848
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948
N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282629
N-[[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]methyl]ethanamine
CID 115961171
2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 112609092
N-[[5-(1-phenylethoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381438
2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952813
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 61390654
N-[(3-chloro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 112609432
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
3-methyl-2-(1-phenylethoxy)aniline
CID 115550879

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine (CID 115952747) is N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cccc(C)c1OC(C)c1ccccc1.
What is the InChIKey of N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is ARBJTINDIVRFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-13-20-14-18-12-8-9-15(2)19(18)21-16(3)17-10-6-5-7-11-17/h5-12,16,20H,4,13-14H2,1-3H3.
What are the key properties of N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine?
N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115952747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).