3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine

C15H26N2O — CID 170866732

IUPAC3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cccc(OCCN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-16(2)10-6-8-14-7-5-9-15(13-14)18-12-11-17(3)4/h5,7,9,13H,6,8,10-12H2,1-4H3
InChIKeyISGUWWGCMYKHJH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.12
Rot. Bonds8

About 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine

3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866732) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866732
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cccc(OCCN(C)C)c1
InChIInChI=1S/C15H26N2O/c1-16(2)10-6-8-14-7-5-9-15(13-14)18-12-11-17(3)4/h5,7,9,13H,6,8,10-12H2,1-4H3
InChIKeyISGUWWGCMYKHJH-UHFFFAOYSA-N
XLogP2.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170866457
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
3-(3-tert-butylphenoxy)-N,N-dimethylpropan-1-amine
CID 2994010
N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
N,N-dimethyl-3-[3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenoxy]propan-1-amine
CID 90762189
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine (CID 170866732) is 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cccc(OCCN(C)C)c1.
What is the InChIKey of 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is ISGUWWGCMYKHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-16(2)10-6-8-14-7-5-9-15(13-14)18-12-11-17(3)4/h5,7,9,13H,6,8,10-12H2,1-4H3.
What are the key properties of 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine?
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).