N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine

C18H21FN2 — CID 80649541

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2cccc3c2NCC3)cc1F
InChIInChI=1S/C18H21FN2/c1-12-6-7-15(10-17(12)19)13(2)21-11-16-5-3-4-14-8-9-20-18(14)16/h3-7,10,13,20-21H,8-9,11H2,1-2H3
InChIKeyMHPFIBIHNOPDNN-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.95
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 80649541) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID80649541
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2cccc3c2NCC3)cc1F
InChIInChI=1S/C18H21FN2/c1-12-6-7-15(10-17(12)19)13(2)21-11-16-5-3-4-14-8-9-20-18(14)16/h3-7,10,13,20-21H,8-9,11H2,1-2H3
InChIKeyMHPFIBIHNOPDNN-UHFFFAOYSA-N
XLogP3.95
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 80649791
(1S)-1-(4-chlorophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)ethanamine
CID 81352928
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2-fluorophenyl)ethanamine
CID 80649925
1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648669
(1R)-1-(4-fluorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 81351706
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81382251
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-pyridin-3-ylethanamine
CID 80650370
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 80649702
(1R)-N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-thiophen-2-ylethanamine
CID 81398862
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylpentan-2-amine
CID 80649218
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 80650058

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine (CID 80649541) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(C)NCc2cccc3c2NCC3)cc1F.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is MHPFIBIHNOPDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-12-6-7-15(10-17(12)19)13(2)21-11-16-5-3-4-14-8-9-20-18(14)16/h3-7,10,13,20-21H,8-9,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 80649541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).