N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline

C14H24N2O — CID 62485408

IUPACN,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
SMILESCCCNCC(C)Oc1cccc(N(C)C)c1
InChIInChI=1S/C14H24N2O/c1-5-9-15-11-12(2)17-14-8-6-7-13(10-14)16(3)4/h6-8,10,12,15H,5,9,11H2,1-4H3
InChIKeyXSYMKPXXLPGUIN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.52
Rot. Bonds7

About N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline

N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline (PubChem CID 62485408) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
PubChem CID62485408
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
SMILESCCCNCC(C)Oc1cccc(N(C)C)c1
InChIInChI=1S/C14H24N2O/c1-5-9-15-11-12(2)17-14-8-6-7-13(10-14)16(3)4/h6-8,10,12,15H,5,9,11H2,1-4H3
InChIKeyXSYMKPXXLPGUIN-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.52
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

2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
2-naphthalen-2-yloxy-N-propylpropan-1-amine
CID 42630142
N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
CID 62485229
2-(4-chloro-3-ethylphenoxy)-N-propylpropan-1-amine
CID 62485185
2-N-(3-methoxyphenyl)-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62430800
N,N-dimethyl-3-[[5-(propylaminomethyl)furan-2-yl]methoxy]aniline
CID 62484354
2-(2,6-dimethylphenoxy)-N-propylpropan-1-amine
CID 54798323
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
N-[2-(3-methylsulfonylphenoxy)propyl]pentan-1-amine
CID 62582496
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
N-[2-(3-bromophenoxy)propyl]-3-methylbutan-1-amine
CID 62570902
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline?
The IUPAC name of N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline (CID 62485408) is N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline is CCCNCC(C)Oc1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline?
The InChIKey is XSYMKPXXLPGUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-9-15-11-12(2)17-14-8-6-7-13(10-14)16(3)4/h6-8,10,12,15H,5,9,11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline?
N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline is sourced from PubChem (CID 62485408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).