4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline

C19H26N2O — CID 82138462

IUPAC4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN)CCCOc2ccccc2)cc1
InChIInChI=1S/C19H26N2O/c1-21(2)18-12-10-16(11-13-18)17(15-20)7-6-14-22-19-8-4-3-5-9-19/h3-5,8-13,17H,6-7,14-15,20H2,1-2H3
InChIKeyBZSAKQNPUOSAEH-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.65
Rot. Bonds8

About 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline

4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline (PubChem CID 82138462) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
PubChem CID82138462
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(CN)CCCOc2ccccc2)cc1
InChIInChI=1S/C19H26N2O/c1-21(2)18-12-10-16(11-13-18)17(15-20)7-6-14-22-19-8-4-3-5-9-19/h3-5,8-13,17H,6-7,14-15,20H2,1-2H3
InChIKeyBZSAKQNPUOSAEH-UHFFFAOYSA-N
XLogP3.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline 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-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138453
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
N,N-dimethyl-4-(3-phenoxypropyl)aniline
CID 91358469
2-(2-bromophenyl)-5-phenoxypentan-1-amine
CID 79449306
2-(4-methylphenyl)-5-phenoxypentan-1-ol
CID 79437004
(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138370
2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
4-[5-[4-(dimethylamino)phenoxy]pentoxy]-N,N-dimethylaniline;dihydrochloride
CID 135564251
2-phenylpentane-1,5-diamine
CID 22770284
5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
CID 82138009
2-(4-phenylphenyl)hexan-1-amine
CID 121467477

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline (CID 82138462) is 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(C(CN)CCCOc2ccccc2)cc1.
What is the InChIKey of 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline?
The InChIKey is BZSAKQNPUOSAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-21(2)18-12-10-16(11-13-18)17(15-20)7-6-14-22-19-8-4-3-5-9-19/h3-5,8-13,17H,6-7,14-15,20H2,1-2H3.
What are the key properties of 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline?
4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline has a molecular weight of 298.43 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 82138462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).