5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride

C11H17Cl2NO — CID 126809410

IUPAC5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
SMILESCOCC(C)Nc1cc(Cl)ccc1C.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-8-4-5-10(12)6-11(8)13-9(2)7-14-3;/h4-6,9,13H,7H2,1-3H3;1H
InChIKeyLCZVAZUHSMILFM-UHFFFAOYSA-N
MW250.17 g/mol
LogP3.52
Rot. Bonds4

About 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride

5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride (PubChem CID 126809410) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
PubChem CID126809410
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC Name5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride
SMILESCOCC(C)Nc1cc(Cl)ccc1C.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-8-4-5-10(12)6-11(8)13-9(2)7-14-3;/h4-6,9,13H,7H2,1-3H3;1H
InChIKeyLCZVAZUHSMILFM-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
6-N-(5-chloro-2-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22547340
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006
3-[[(2S)-1-methoxypropan-2-yl]amino]-4-methylbenzonitrile
CID 94474811
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
5-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylaniline
CID 43755227
4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 55086474
3-N-(4-methoxybutan-2-yl)-4-methylbenzene-1,3-diamine
CID 64600487
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
3-(1-methoxypropan-2-ylamino)-2,6-dimethylphenol
CID 62536428

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride?
The IUPAC name of 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride (CID 126809410) is 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride.
What is the SMILES notation for 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride?
The canonical SMILES for 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride is COCC(C)Nc1cc(Cl)ccc1C.Cl.
What is the InChIKey of 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride?
The InChIKey is LCZVAZUHSMILFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO.ClH/c1-8-4-5-10(12)6-11(8)13-9(2)7-14-3;/h4-6,9,13H,7H2,1-3H3;1H.
What are the key properties of 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride?
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride has a molecular weight of 250.17 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline;hydrochloride is sourced from PubChem (CID 126809410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).