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

C13H21NO — CID 170865322

IUPAC3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCCOc1cccc(CCCN(C)C)c1
InChIInChI=1S/C13H21NO/c1-4-15-13-9-5-7-12(11-13)8-6-10-14(2)3/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyIRZQYEMYDSMSBR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds6

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

3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170865322) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
PubChem CID170865322
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCCOc1cccc(CCCN(C)C)c1
InChIInChI=1S/C13H21NO/c1-4-15-13-9-5-7-12(11-13)8-6-10-14(2)3/h5,7,9,11H,4,6,8,10H2,1-3H3
InChIKeyIRZQYEMYDSMSBR-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170866457
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
1-ethoxy-3-(2-ethoxyethyl)benzene
CID 11644076
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
3-(4-ethoxy-2-methylphenyl)-N,N-dimethylpropan-1-amine
CID 170866578
3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
1-but-3-ynyl-3-ethoxybenzene
CID 164663959
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485
3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866352

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine (CID 170865322) is 3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine is CCOc1cccc(CCCN(C)C)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is IRZQYEMYDSMSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-15-13-9-5-7-12(11-13)8-6-10-14(2)3/h5,7,9,11H,4,6,8,10H2,1-3H3.
What are the key properties of 3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine?
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).