N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine

C19H35N3O — CID 94759867

IUPACN-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCCCc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C19H35N3O/c1-5-22(6-2)14-8-13-21-12-7-9-17-10-11-19(18(20)15-17)23-16(3)4/h10-11,15-16,21H,5-9,12-14,20H2,1-4H3
InChIKeyZGMPLPUOSFTTNC-UHFFFAOYSA-N
MW321.51 g/mol
LogP3.31
Rot. Bonds12

About N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine

N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine (PubChem CID 94759867) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
PubChem CID94759867
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC NameN-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNCCCc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C19H35N3O/c1-5-22(6-2)14-8-13-21-12-7-9-17-10-11-19(18(20)15-17)23-16(3)4/h10-11,15-16,21H,5-9,12-14,20H2,1-4H3
InChIKeyZGMPLPUOSFTTNC-UHFFFAOYSA-N
XLogP3.31
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine 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

3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
5-[3-(2-methylpropylamino)propyl]-2-propan-2-yloxyaniline
CID 82153239
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
2-propan-2-yloxy-5-[3-(pyridin-4-ylmethylamino)propyl]aniline
CID 82153253
5-[3-(2-morpholin-4-ylethylamino)propyl]-2-propan-2-yloxyaniline
CID 94759859
5-[3-(cyclohexylamino)propyl]-2-propan-2-yloxyaniline
CID 82153248
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
5-[3-(3,4-difluoroanilino)propyl]-2-propan-2-yloxyaniline
CID 94760435
5-[3-[(2-methylcyclohexyl)amino]propyl]-2-propan-2-yloxyaniline
CID 82153259
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-4-methylpiperazin-1-amine
CID 94759879
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine (CID 94759867) is N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNCCCc1ccc(OC(C)C)c(N)c1.
What is the InChIKey of N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine?
The InChIKey is ZGMPLPUOSFTTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-5-22(6-2)14-8-13-21-12-7-9-17-10-11-19(18(20)15-17)23-16(3)4/h10-11,15-16,21H,5-9,12-14,20H2,1-4H3.
What are the key properties of N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine?
N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine has a molecular weight of 321.51 g/mol, XLogP of 3.31, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-4-propan-2-yloxyphenyl)propyl]-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 94759867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).