2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline

C11H16ClNO — CID 66251264

IUPAC2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
SMILESCOCC(C)Nc1c(C)cccc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-5-4-6-10(12)11(8)13-9(2)7-14-3/h4-6,9,13H,7H2,1-3H3
InChIKeyOSOWFBDPDHZJQL-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline

2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline (PubChem CID 66251264) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
PubChem CID66251264
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline
SMILESCOCC(C)Nc1c(C)cccc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-5-4-6-10(12)11(8)13-9(2)7-14-3/h4-6,9,13H,7H2,1-3H3
InChIKeyOSOWFBDPDHZJQL-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methoxypropan-2-yl)-2,6-dimethylaniline
CID 10899497
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
CID 66251267
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
CID 62535633
2,6-diethyl-N-(1-methoxypropan-2-yl)aniline
CID 15051296
2,5-dichloro-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 104726031
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
2-N-(4-methoxybutan-2-yl)-3-methylbenzene-1,2-diamine
CID 115550603
2-ethyl-N-(1-methoxypropan-2-yl)-6-methylaniline;N-(2-ethyl-6-methylphenyl)-1-methoxypropan-2-imine;molecular hydrogen
CID 158531933
2-chloro-N-(2,2-difluoroethyl)-6-methylaniline
CID 66251946
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
2-(2-chloro-6-methylanilino)propanamide
CID 66252713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline?
The IUPAC name of 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline (CID 66251264) is 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline.
What is the SMILES notation for 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline?
The canonical SMILES for 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline is COCC(C)Nc1c(C)cccc1Cl.
What is the InChIKey of 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline?
The InChIKey is OSOWFBDPDHZJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8-5-4-6-10(12)11(8)13-9(2)7-14-3/h4-6,9,13H,7H2,1-3H3.
What are the key properties of 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline?
2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline has a molecular weight of 213.71 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methoxypropan-2-yl)-6-methylaniline is sourced from PubChem (CID 66251264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).