3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine

C20H26ClNO2 — CID 170866352

IUPAC3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCCOc1cc(CCCN(C)C)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H26ClNO2/c1-4-23-20-14-16(8-6-12-22(2)3)10-11-19(20)24-15-17-7-5-9-18(21)13-17/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3
InChIKeyAZGBOZPGCVYGEE-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.81
Rot. Bonds9

About 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine

3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866352) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866352
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine
SMILESCCOc1cc(CCCN(C)C)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H26ClNO2/c1-4-23-20-14-16(8-6-12-22(2)3)10-11-19(20)24-15-17-7-5-9-18(21)13-17/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3
InChIKeyAZGBOZPGCVYGEE-UHFFFAOYSA-N
XLogP4.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]propanenitrile
CID 82185994
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322
3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 170887590
3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866415
3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294947
N-[2-(3,4-diethoxyphenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 82097748
(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
3-(3-chlorophenyl)-1-[4-[3-(dimethylamino)propyl]phenyl]propan-1-one
CID 19883660

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine (CID 170866352) is 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine is CCOc1cc(CCCN(C)C)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is AZGBOZPGCVYGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-4-23-20-14-16(8-6-12-22(2)3)10-11-19(20)24-15-17-7-5-9-18(21)13-17/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3.
What are the key properties of 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine?
3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 347.89 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).