2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline

C16H17Cl2NO — CID 43758711

IUPAC2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccccc1CC(C)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-11(9-12-5-3-4-6-16(12)20-2)19-15-8-7-13(17)10-14(15)18/h3-8,10-11,19H,9H2,1-2H3
InChIKeyOINXKLHKFVLYNR-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.05
Rot. Bonds5

About 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline

2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline (PubChem CID 43758711) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
PubChem CID43758711
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1ccccc1CC(C)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-11(9-12-5-3-4-6-16(12)20-2)19-15-8-7-13(17)10-14(15)18/h3-8,10-11,19H,9H2,1-2H3
InChIKeyOINXKLHKFVLYNR-UHFFFAOYSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227
2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 63454158
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
[1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105200254
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
CID 66251267
5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43787862
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
2-chloro-4-[1-(2-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43775110
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 43767012
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline (CID 43758711) is 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline is COc1ccccc1CC(C)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is OINXKLHKFVLYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(9-12-5-3-4-6-16(12)20-2)19-15-8-7-13(17)10-14(15)18/h3-8,10-11,19H,9H2,1-2H3.
What are the key properties of 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline?
2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 310.22 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 43758711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).