2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline

C16H17Cl2NO — CID 39447537

IUPAC2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1ccccc1CNc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2NO/c1-11(2)20-15-9-4-3-6-12(15)10-19-14-8-5-7-13(17)16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyRPUWFXOGSYWIQH-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.39
Rot. Bonds5

About 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline

2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 39447537) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
PubChem CID39447537
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1ccccc1CNc1cccc(Cl)c1Cl
InChIInChI=1S/C16H17Cl2NO/c1-11(2)20-15-9-4-3-6-12(15)10-19-14-8-5-7-13(17)16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyRPUWFXOGSYWIQH-UHFFFAOYSA-N
XLogP5.39
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 ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773952
4-bromo-2-chloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43774893
5-chloro-2-methoxy-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39438809
(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375155
2-nitro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43785458
4-chloro-2-[(2-propan-2-yloxyphenyl)methylamino]benzonitrile
CID 43780520
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39386889
2-chloro-N-[(2-chlorophenyl)methyl]-3-methylaniline
CID 114251746
3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39369011
3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43768953
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline (CID 39447537) is 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline is CC(C)Oc1ccccc1CNc1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is RPUWFXOGSYWIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(2)20-15-9-4-3-6-12(15)10-19-14-8-5-7-13(17)16(14)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline has a molecular weight of 310.22 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 39447537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).