N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H19F3N2 — CID 80566592

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC1CNc2ccccc21)CC(F)(F)F
InChIInChI=1S/C14H19F3N2/c1-2-7-19(10-14(15,16)17)9-11-8-18-13-6-4-3-5-12(11)13/h3-6,11,18H,2,7-10H2,1H3
InChIKeyNBNGJMVKPBOQAX-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.47
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 80566592) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID80566592
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(CC1CNc2ccccc21)CC(F)(F)F
InChIInChI=1S/C14H19F3N2/c1-2-7-19(10-14(15,16)17)9-11-8-18-13-6-4-3-5-12(11)13/h3-6,11,18H,2,7-10H2,1H3
InChIKeyNBNGJMVKPBOQAX-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 80566518
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 80577188
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
CID 80567043
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 80577154
2-(2,3-dihydro-1H-indol-3-yl)-N-ethyl-N-(2,2,2-trifluoroethyl)acetamide
CID 80573170
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
N'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 80566631
N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 80566812
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-N-ethylethanamine
CID 80577124
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
CID 80566591

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 80566592) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(CC1CNc2ccccc21)CC(F)(F)F.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is NBNGJMVKPBOQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-7-19(10-14(15,16)17)9-11-8-18-13-6-4-3-5-12(11)13/h3-6,11,18H,2,7-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 272.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 80566592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).