3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline

C18H21Cl2NO — CID 141126096

IUPAC3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline
SMILESCCCN(CCC)c1cccc(Cl)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO/c1-3-12-21(13-4-2)17-7-5-6-16(20)18(17)22-15-10-8-14(19)9-11-15/h5-11H,3-4,12-13H2,1-2H3
InChIKeyBBBVNVJGXAJPCG-UHFFFAOYSA-N
MW338.28 g/mol
LogP6.41
Rot. Bonds7

About 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline

3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline (PubChem CID 141126096) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline.

Molecular Properties

Compound Name3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline
PubChem CID141126096
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline
SMILESCCCN(CCC)c1cccc(Cl)c1Oc1ccc(Cl)cc1
InChIInChI=1S/C18H21Cl2NO/c1-3-12-21(13-4-2)17-7-5-6-16(20)18(17)22-15-10-8-14(19)9-11-15/h5-11H,3-4,12-13H2,1-2H3
InChIKeyBBBVNVJGXAJPCG-UHFFFAOYSA-N
XLogP6.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-(chloromethyl)-N,N-dipropylaniline
CID 28946264
1-N,1-N-dipropylnaphthalene-1,5-diamine
CID 139621321
4-N,4-N-dipropylnaphthalene-1,4-diamine
CID 139621295
1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
CID 86051450
2-(4-butylphenoxy)-3-chloroaniline
CID 115492204
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzonitrile
CID 62497864
3-chloro-5-(dibutylamino)-4-phenoxybenzonitrile
CID 123612338
2-chloro-4-methyl-N,N-dipropylaniline
CID 142078199
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
1-chloro-3-(chloromethyl)-2-(4-methoxyphenoxy)benzene
CID 114067983
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
3-chloro-N,2-dimethyl-N-propylaniline
CID 123602210

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline?
The IUPAC name of 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline (CID 141126096) is 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline.
What is the SMILES notation for 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline?
The canonical SMILES for 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline is CCCN(CCC)c1cccc(Cl)c1Oc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline?
The InChIKey is BBBVNVJGXAJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO/c1-3-12-21(13-4-2)17-7-5-6-16(20)18(17)22-15-10-8-14(19)9-11-15/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline?
3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline has a molecular weight of 338.28 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chlorophenoxy)-N,N-dipropylaniline is sourced from PubChem (CID 141126096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).