3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine

C17H20ClNO — CID 70586512

IUPAC3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO/c1-19(2)13-3-4-14-5-9-16(10-6-14)20-17-11-7-15(18)8-12-17/h5-12H,3-4,13H2,1-2H3
InChIKeyZYXYZUOWOIGMKB-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.63
Rot. Bonds6

About 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine

3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 70586512) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
PubChem CID70586512
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO/c1-19(2)13-3-4-14-5-9-16(10-6-14)20-17-11-7-15(18)8-12-17/h5-12H,3-4,13H2,1-2H3
InChIKeyZYXYZUOWOIGMKB-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbutan-1-amine
CID 70587646
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 170865611
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
N,N-dimethyl-3-(4-pyridin-3-yloxyphenyl)propan-1-amine
CID 170865971
N,N-dimethyl-3-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 170865655
3-[4-[[[3-(4-chlorophenoxy)phenyl]methylamino]methyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 44534297
4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbut-2-en-1-amine
CID 70586336
3-(4-heptoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865649
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866157
4-[3-(dimethylamino)propyl]aniline;ethane
CID 144651557

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine (CID 70586512) is 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is ZYXYZUOWOIGMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19(2)13-3-4-14-5-9-16(10-6-14)20-17-11-7-15(18)8-12-17/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine?
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 70586512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).