4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine

C14H19Cl2N — CID 79837283

IUPAC4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H19Cl2N/c1-4-5-17-12-8-14(2,3)13-10(12)6-9(15)7-11(13)16/h6-7,12,17H,4-5,8H2,1-3H3
InChIKeyYTYUNGRTVBMLQR-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.72
Rot. Bonds3

About 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine

4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine (PubChem CID 79837283) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
PubChem CID79837283
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C14H19Cl2N/c1-4-5-17-12-8-14(2,3)13-10(12)6-9(15)7-11(13)16/h6-7,12,17H,4-5,8H2,1-3H3
InChIKeyYTYUNGRTVBMLQR-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837769
3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
CID 115483170
6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 105400200
8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64699313
3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483148
7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 116689692
3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine
CID 79837847
7-chloro-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417608
6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711494
6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837179
6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711490
3-(2,4-dichlorophenyl)-N-propylcyclopentan-1-amine
CID 114281133

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
The IUPAC name of 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine (CID 79837283) is 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine is CCCNC1CC(C)(C)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
The InChIKey is YTYUNGRTVBMLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-4-5-17-12-8-14(2,3)13-10(12)6-9(15)7-11(13)16/h6-7,12,17H,4-5,8H2,1-3H3.
What are the key properties of 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine has a molecular weight of 272.22 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79837283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).