N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline

C16H28N2O — CID 62485229

IUPACN,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
SMILESCC(C)CNCCCCOc1cccc(N(C)C)c1
InChIInChI=1S/C16H28N2O/c1-14(2)13-17-10-5-6-11-19-16-9-7-8-15(12-16)18(3)4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3
InChIKeyVDPPWBHQCQZBCS-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.16
Rot. Bonds9

About N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline

N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline (PubChem CID 62485229) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
PubChem CID62485229
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
SMILESCC(C)CNCCCCOc1cccc(N(C)C)c1
InChIInChI=1S/C16H28N2O/c1-14(2)13-17-10-5-6-11-19-16-9-7-8-15(12-16)18(3)4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3
InChIKeyVDPPWBHQCQZBCS-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.16
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

N-(2-methylpropyl)-5-naphthalen-2-yloxypentan-1-amine
CID 63498763
5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62784161
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
N,N-dimethyl-3-[1-(propylamino)propan-2-yloxy]aniline
CID 62485408
5-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107726323
3-[2-(2-methylpropylamino)ethoxy]benzoic acid
CID 103231029
N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine
CID 167136329
3-[2-(4-iodophenoxy)ethoxy]-N,N-dimethylaniline
CID 141496983
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline?
The IUPAC name of N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline (CID 62485229) is N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline is CC(C)CNCCCCOc1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline?
The InChIKey is VDPPWBHQCQZBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)13-17-10-5-6-11-19-16-9-7-8-15(12-16)18(3)4/h7-9,12,14,17H,5-6,10-11,13H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline?
N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline has a molecular weight of 264.41 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline is sourced from PubChem (CID 62485229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).