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

C17H20ClNO — CID 43755227

IUPAC5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
SMILESCOc1ccccc1CC(C)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H20ClNO/c1-12-8-9-15(18)11-16(12)19-13(2)10-14-6-4-5-7-17(14)20-3/h4-9,11,13,19H,10H2,1-3H3
InChIKeyDHNLCYYCTMTVOO-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.70
Rot. Bonds5

About 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline

5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline (PubChem CID 43755227) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
PubChem CID43755227
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
SMILESCOc1ccccc1CC(C)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H20ClNO/c1-12-8-9-15(18)11-16(12)19-13(2)10-14-6-4-5-7-17(14)20-3/h4-9,11,13,19H,10H2,1-3H3
InChIKeyDHNLCYYCTMTVOO-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

2,4-dichloro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43758711
5-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43787862
2-chloro-5-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 63454158
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
CID 66251267
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
CID 126809410
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 63449510
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 43767012
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-4-chloro-2-methylbenzene
CID 114028164
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline (CID 43755227) is 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline is COc1ccccc1CC(C)Nc1cc(Cl)ccc1C.
What is the InChIKey of 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline?
The InChIKey is DHNLCYYCTMTVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-8-9-15(18)11-16(12)19-13(2)10-14-6-4-5-7-17(14)20-3/h4-9,11,13,19H,10H2,1-3H3.
What are the key properties of 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline?
5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-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 5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline is sourced from PubChem (CID 43755227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).