1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

C16H19ClN2 — CID 63465728

IUPAC1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2cccc(Cl)c2)C(N)C1
InChIInChI=1S/C16H19ClN2/c1-16(2)9-14(18)13-6-7-19(15(13)10-16)12-5-3-4-11(17)8-12/h3-8,14H,9-10,18H2,1-2H3
InChIKeyMJSPCHSPLYWUGU-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.10
Rot. Bonds1

About 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63465728) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63465728
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCC1(C)Cc2c(ccn2-c2cccc(Cl)c2)C(N)C1
InChIInChI=1S/C16H19ClN2/c1-16(2)9-14(18)13-6-7-19(15(13)10-16)12-5-3-4-11(17)8-12/h3-8,14H,9-10,18H2,1-2H3
InChIKeyMJSPCHSPLYWUGU-UHFFFAOYSA-N
XLogP4.10
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465934
1-(3-iodophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464993
6,6-dimethyl-1-(1,2-oxazol-3-yl)-5,7-dihydro-4H-indol-4-amine
CID 62902164
1-(2-bromo-4,6-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466270
6,6-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5,7-dihydro-4H-indol-4-amine
CID 107645961
1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465933
1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 106900702
1-(3-ethyl-1-methylpyrazol-4-yl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 107464600
1-cyclobutyl-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
CID 62415611
1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018128
1-(2,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466785
1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465369

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 63465728) is 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is CC1(C)Cc2c(ccn2-c2cccc(Cl)c2)C(N)C1.
What is the InChIKey of 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is MJSPCHSPLYWUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-16(2)9-14(18)13-6-7-19(15(13)10-16)12-5-3-4-11(17)8-12/h3-8,14H,9-10,18H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 274.80 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63465728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).