1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine

C21H21FN2 — CID 142097881

IUPAC1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine
SMILESCC(NCc1cc2cc(F)ccc2[nH]1)C1=c2ccccc2=CCC1
InChIInChI=1S/C21H21FN2/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)23-13-18-12-16-11-17(22)9-10-21(16)24-18/h2-3,5-7,9-12,14,23-24H,4,8,13H2,1H3
InChIKeyKFYAWLVKXCOPGW-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.21
Rot. Bonds4

About 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine

1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine (PubChem CID 142097881) has the molecular formula C21H21FN2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine
PubChem CID142097881
Molecular FormulaC21H21FN2
Molecular Weight320.41 g/mol
Exact Mass320.17
IUPAC Name1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine
SMILESCC(NCc1cc2cc(F)ccc2[nH]1)C1=c2ccccc2=CCC1
InChIInChI=1S/C21H21FN2/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)23-13-18-12-16-11-17(22)9-10-21(16)24-18/h2-3,5-7,9-12,14,23-24H,4,8,13H2,1H3
InChIKeyKFYAWLVKXCOPGW-UHFFFAOYSA-N
XLogP3.21
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-(2-methylpropyl)-1H-indole
CID 177351441
2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
5-fluoro-2-(propan-2-ylsulfanylmethyl)-1H-indole
CID 117176864
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
CID 53398780
(1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 97231021
N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine
CID 84626352
1-(5-fluoro-1H-indol-2-yl)butan-2-amine
CID 131338781
N-[(6-fluoro-1H-indol-2-yl)methyl]ethanamine
CID 117180302
1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117195228
N-[(6-fluoro-1H-indol-2-yl)methyl]cyclopentanamine
CID 117180030
3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate
CID 68676585

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine (CID 142097881) is 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine is CC(NCc1cc2cc(F)ccc2[nH]1)C1=c2ccccc2=CCC1.
What is the InChIKey of 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine?
The InChIKey is KFYAWLVKXCOPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)23-13-18-12-16-11-17(22)9-10-21(16)24-18/h2-3,5-7,9-12,14,23-24H,4,8,13H2,1H3.
What are the key properties of 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine?
1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine has a molecular weight of 320.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydronaphthalen-1-yl)-N-[(5-fluoro-1H-indol-2-yl)methyl]ethanamine is sourced from PubChem (CID 142097881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).