3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine

C15H25NO2 — CID 2993413

IUPAC3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
SMILESCCCCOc1cccc(OCCCN(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-5-11-17-14-8-6-9-15(13-14)18-12-7-10-16(2)3/h6,8-9,13H,4-5,7,10-12H2,1-3H3
InChIKeyHDPADCMJCYPDMW-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.20
Rot. Bonds9

About 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine

3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine (PubChem CID 2993413) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
PubChem CID2993413
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
SMILESCCCCOc1cccc(OCCCN(C)C)c1
InChIInChI=1S/C15H25NO2/c1-4-5-11-17-14-8-6-9-15(13-14)18-12-7-10-16(2)3/h6,8-9,13H,4-5,7,10-12H2,1-3H3
InChIKeyHDPADCMJCYPDMW-UHFFFAOYSA-N
XLogP3.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
1,3-dihexadecoxybenzene
CID 12686834
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
potassium [3-[3-(dimethylamino)propoxy]phenyl]-trifluoroboranuide
CID 114525782
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
1-[3-[3-(dimethylamino)propoxy]phenyl]ethanol
CID 112508038
3-[4-butoxy-2-(2-phenylethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 139784207
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322

Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine (CID 2993413) is 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine is CCCCOc1cccc(OCCCN(C)C)c1.
What is the InChIKey of 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine?
The InChIKey is HDPADCMJCYPDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-5-11-17-14-8-6-9-15(13-14)18-12-7-10-16(2)3/h6,8-9,13H,4-5,7,10-12H2,1-3H3.
What are the key properties of 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine?
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 2993413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).