3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline

C17H19Cl2NO — CID 43760298

IUPAC3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
SMILESCOc1ccc(CCC(C)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2NO/c1-12(20-16-10-14(18)9-15(19)11-16)3-4-13-5-7-17(21-2)8-6-13/h5-12,20H,3-4H2,1-2H3
InChIKeyRWGOPJAXDGHUDZ-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.44
Rot. Bonds6

About 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline

3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline (PubChem CID 43760298) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
PubChem CID43760298
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
SMILESCOc1ccc(CCC(C)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2NO/c1-12(20-16-10-14(18)9-15(19)11-16)3-4-13-5-7-17(21-2)8-6-13/h5-12,20H,3-4H2,1-2H3
InChIKeyRWGOPJAXDGHUDZ-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107364132
4-chloro-3-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43786115
5-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylphenol
CID 107699770
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
5-bromo-2-fluoro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 43777522
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
2,6-dibromo-N-[4-(4-methoxyphenyl)butan-2-yl]aniline
CID 107597022
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673
2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 139899503
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine
CID 78978381
4-methoxy-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 43508755

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The IUPAC name of 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline (CID 43760298) is 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The canonical SMILES for 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline is COc1ccc(CCC(C)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
The InChIKey is RWGOPJAXDGHUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(20-16-10-14(18)9-15(19)11-16)3-4-13-5-7-17(21-2)8-6-13/h5-12,20H,3-4H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline?
3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline has a molecular weight of 324.25 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]aniline is sourced from PubChem (CID 43760298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).