3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine

C18H26F2N2 — CID 164558202

IUPAC3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine
SMILESCC1=CC2NC=C(C(C)(F)F)C2C(NC2CCCC(C)C2)=C1
InChIInChI=1S/C18H26F2N2/c1-11-5-4-6-13(7-11)22-16-9-12(2)8-15-17(16)14(10-21-15)18(3,19)20/h8-11,13,15,17,21-22H,4-7H2,1-3H3
InChIKeyUWHMQGXZHXNGBC-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.13
Rot. Bonds3

About 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine

3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine (PubChem CID 164558202) has the molecular formula C18H26F2N2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine
PubChem CID164558202
Molecular FormulaC18H26F2N2
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine
SMILESCC1=CC2NC=C(C(C)(F)F)C2C(NC2CCCC(C)C2)=C1
InChIInChI=1S/C18H26F2N2/c1-11-5-4-6-13(7-11)22-16-9-12(2)8-15-17(16)14(10-21-15)18(3,19)20/h8-11,13,15,17,21-22H,4-7H2,1-3H3
InChIKeyUWHMQGXZHXNGBC-UHFFFAOYSA-N
XLogP4.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085449
N-[(5Z,6E)-3-[(Z)-2-amino-1,1-difluorohept-2-en-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085563
4-[[1-[3,5-Bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethenylamino]methyl]cyclohexan-1-amine
CID 89119274
5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
CID 123995432
(3E,5R,6E)-2-(1,2,4a,5,6,7-hexahydroquinolin-3-yl)-8,8-difluoro-5,7-dimethylocta-1,3,6-trien-3-amine
CID 130242712
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
(2E)-3-[(3E)-3-[1-[(4,4-difluorocyclohexyl)methyl]-3H-pyrrol-2-ylidene]prop-1-en-2-yl]-N,4-dimethylpenta-2,4-dien-2-amine
CID 135294948
N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine
CID 141139585
6-(1,1-Difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
CID 146409781
2-[[2-[2-Methyl-3-(trifluoromethyl)-1,2-dihydropyridin-5-yl]cyclopenta-2,4-dien-1-yl]methyl]prop-2-en-1-amine
CID 146490009
3-propyl-2-(trifluoromethyl)-3a,7a-dihydro-1H-indole
CID 155698557
(E)-2-N-[2-(4-amino-3a,6,7,7a-tetrahydro-1H-indol-3-yl)ethyl]-5,5,5-trifluoropent-3-ene-2,3-diamine
CID 163743201

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine (CID 164558202) is 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine is CC1=CC2NC=C(C(C)(F)F)C2C(NC2CCCC(C)C2)=C1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine?
The InChIKey is UWHMQGXZHXNGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2/c1-11-5-4-6-13(7-11)22-16-9-12(2)8-15-17(16)14(10-21-15)18(3,19)20/h8-11,13,15,17,21-22H,4-7H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine?
3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine has a molecular weight of 308.42 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-methyl-N-(3-methylcyclohexyl)-3a,7a-dihydro-1H-indol-4-amine is sourced from PubChem (CID 164558202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).