5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline

C20H28N2O — CID 94759766

IUPAC5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline
SMILESCC(C)CNCCCc1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C20H28N2O/c1-16(2)14-22-12-6-9-17-10-11-20(19(21)13-17)23-15-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,16,22H,6,9,12,14-15,21H2,1-2H3
InChIKeyIZKVPVMARWTEQZ-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.03
Rot. Bonds9

About 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline

5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline (PubChem CID 94759766) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline.

Molecular Properties

Compound Name5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline
PubChem CID94759766
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline
SMILESCC(C)CNCCCc1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C20H28N2O/c1-16(2)14-22-12-6-9-17-10-11-20(19(21)13-17)23-15-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,16,22H,6,9,12,14-15,21H2,1-2H3
InChIKeyIZKVPVMARWTEQZ-UHFFFAOYSA-N
XLogP4.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline 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-phenylmethoxy-5-[3-(propan-2-ylamino)propyl]aniline
CID 82153119
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
2-phenylmethoxy-5-[2-(prop-2-enylamino)ethyl]aniline
CID 82257717
5-ethyl-2-phenylmethoxyaniline;N-propan-2-ylbutan-1-amine
CID 70392380
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764
2-(2-methylpropoxy)-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 94759809
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[2-(2-phenylethylamino)ethyl]-2-propoxyaniline
CID 82257627
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline?
The IUPAC name of 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline (CID 94759766) is 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline.
What is the SMILES notation for 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline?
The canonical SMILES for 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline is CC(C)CNCCCc1ccc(OCc2ccccc2)c(N)c1.
What is the InChIKey of 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline?
The InChIKey is IZKVPVMARWTEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-16(2)14-22-12-6-9-17-10-11-20(19(21)13-17)23-15-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,16,22H,6,9,12,14-15,21H2,1-2H3.
What are the key properties of 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline?
5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline has a molecular weight of 312.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropylamino)propyl]-2-phenylmethoxyaniline is sourced from PubChem (CID 94759766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).