3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline

C19H26N2O — CID 82138453

IUPAC3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(CN)CCCOc2ccccc2)c1
InChIInChI=1S/C19H26N2O/c1-21(2)18-10-6-8-16(14-18)17(15-20)9-7-13-22-19-11-4-3-5-12-19/h3-6,8,10-12,14,17H,7,9,13,15,20H2,1-2H3
InChIKeyJHXTXHGKFRGCIP-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.65
Rot. Bonds8

About 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline

3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline (PubChem CID 82138453) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
PubChem CID82138453
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(CN)CCCOc2ccccc2)c1
InChIInChI=1S/C19H26N2O/c1-21(2)18-10-6-8-16(14-18)17(15-20)9-7-13-22-19-11-4-3-5-12-19/h3-6,8,10-12,14,17H,7,9,13,15,20H2,1-2H3
InChIKeyJHXTXHGKFRGCIP-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline
CID 82138462
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
2-(3-bromophenyl)-4-phenoxybutan-1-amine
CID 79442992
N,N-dimethyl-3-(2-phenylsulfanylethoxy)aniline
CID 79403547
4-(3-chlorophenoxy)-2-phenylbutan-1-amine
CID 82138848
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939
2-(2-bromophenyl)-5-phenoxypentan-1-amine
CID 79449306
4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
CID 82138439
2-(3-bromophenyl)-N-methyl-5-phenoxypentan-1-amine
CID 79430860
(1-bromo-5-phenoxypentan-2-yl)benzene
CID 66042259
2-(3-bromophenyl)-5-methoxypentan-1-amine
CID 79442544

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline (CID 82138453) is 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline is CN(C)c1cccc(C(CN)CCCOc2ccccc2)c1.
What is the InChIKey of 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline?
The InChIKey is JHXTXHGKFRGCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-21(2)18-10-6-8-16(14-18)17(15-20)9-7-13-22-19-11-4-3-5-12-19/h3-6,8,10-12,14,17H,7,9,13,15,20H2,1-2H3.
What are the key properties of 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline?
3-(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 3-(1-amino-5-phenoxypentan-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 82138453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).