2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline

C17H20ClNO — CID 66251267

IUPAC2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
SMILESCOc1ccccc1CC(C)Nc1c(C)cccc1Cl
InChIInChI=1S/C17H20ClNO/c1-12-7-6-9-15(18)17(12)19-13(2)11-14-8-4-5-10-16(14)20-3/h4-10,13,19H,11H2,1-3H3
InChIKeyZSBNDYUJACQKGY-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.70
Rot. Bonds5

About 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline

2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline (PubChem CID 66251267) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
PubChem CID66251267
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
SMILESCOc1ccccc1CC(C)Nc1c(C)cccc1Cl
InChIInChI=1S/C17H20ClNO/c1-12-7-6-9-15(18)17(12)19-13(2)11-14-8-4-5-10-16(14)20-3/h4-10,13,19H,11H2,1-3H3
InChIKeyZSBNDYUJACQKGY-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
CID 66251264
5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227
2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43758711
2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 63454158
2-[[1-(2-methoxyphenyl)propan-2-ylamino]methyl]-6-methylphenol
CID 115904873
5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43787862
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338
2-chloro-4-[1-(2-methoxyphenyl)propan-2-ylamino]benzonitrile
CID 43775110
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
6-fluoro-N-[1-(2-methoxyphenyl)propan-2-yl]pyridin-2-amine
CID 115591110

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline?
The IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline (CID 66251267) is 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline?
The canonical SMILES for 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline is COc1ccccc1CC(C)Nc1c(C)cccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline?
The InChIKey is ZSBNDYUJACQKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-7-6-9-15(18)17(12)19-13(2)11-14-8-4-5-10-16(14)20-3/h4-10,13,19H,11H2,1-3H3.
What are the key properties of 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline?
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline has a molecular weight of 289.81 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline is sourced from PubChem (CID 66251267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).