3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline

C12H15Cl2N — CID 58029390

IUPAC3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1c(Cl)ccc(Cl)c1C(C)C
InChIInChI=1S/C12H15Cl2N/c1-7(2)11-9(13)5-6-10(14)12(11)15-8(3)4/h5-7,15H,3H2,1-2,4H3
InChIKeyKBXXUNBSQYOPMX-UHFFFAOYSA-N
MW244.16 g/mol
LogP5.06
Rot. Bonds3

About 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline

3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline (PubChem CID 58029390) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline
PubChem CID58029390
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline
SMILESC=C(C)Nc1c(Cl)ccc(Cl)c1C(C)C
InChIInChI=1S/C12H15Cl2N/c1-7(2)11-9(13)5-6-10(14)12(11)15-8(3)4/h5-7,15H,3H2,1-2,4H3
InChIKeyKBXXUNBSQYOPMX-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.16
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane
CID 145387733
(3-chloro-2-propan-2-ylphenyl)carbamic acid
CID 22078489
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
4-fluoro-2,6-di(propan-2-yl)-N-prop-1-en-2-ylaniline
CID 142522948
3,6-dichloro-2-propan-2-ylaniline
CID 21336280
[1-(2,6-dichlorophenyl)-2-methylprop-2-enyl]hydrazine
CID 105320086
1-N,4-N-bis(prop-1-en-2-yl)benzene-1,4-diamine
CID 134219544
1-chloro-3-methyl-2,4-di(propan-2-yl)benzene;ethane
CID 155737833
4-chloro-3-fluoro-2-propan-2-yl-6-prop-1-en-2-ylaniline
CID 163529033
2-propan-2-yl-1,3-bis(prop-1-en-2-yl)benzene
CID 141209236
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
N-(2-chloro-6-prop-1-en-2-ylphenyl)acetamide
CID 130011916

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline?
The IUPAC name of 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline (CID 58029390) is 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline.
What is the SMILES notation for 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline?
The canonical SMILES for 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline is C=C(C)Nc1c(Cl)ccc(Cl)c1C(C)C.
What is the InChIKey of 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline?
The InChIKey is KBXXUNBSQYOPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-7(2)11-9(13)5-6-10(14)12(11)15-8(3)4/h5-7,15H,3H2,1-2,4H3.
What are the key properties of 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline?
3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline has a molecular weight of 244.16 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-propan-2-yl-N-prop-1-en-2-ylaniline is sourced from PubChem (CID 58029390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).