(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

C18H20FNO2 — CID 95588885

IUPAC(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc(CN[C@H]2CCc3c(F)cccc32)c1OC
InChIInChI=1S/C18H20FNO2/c1-21-17-8-3-5-12(18(17)22-2)11-20-16-10-9-13-14(16)6-4-7-15(13)19/h3-8,16,20H,9-11H2,1-2H3/t16-/m0/s1
InChIKeyPQXZVHATEBQLKN-INIZCTEOSA-N
MW301.36 g/mol
LogP3.62
Rot. Bonds5

About (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine

(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 95588885) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID95588885
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cccc(CN[C@H]2CCc3c(F)cccc32)c1OC
InChIInChI=1S/C18H20FNO2/c1-21-17-8-3-5-12(18(17)22-2)11-20-16-10-9-13-14(16)6-4-7-15(13)19/h3-8,16,20H,9-11H2,1-2H3/t16-/m0/s1
InChIKeyPQXZVHATEBQLKN-INIZCTEOSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978105
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181895
4-fluoro-N-[2-(2-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103721632
N-[(2-chlorophenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78978173
4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79483751
N-[(2,3-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;oxalic acid
CID 163327820
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2-fluoro-3-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104791593

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 95588885) is (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is COc1cccc(CN[C@H]2CCc3c(F)cccc32)c1OC.
What is the InChIKey of (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PQXZVHATEBQLKN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-21-17-8-3-5-12(18(17)22-2)11-20-16-10-9-13-14(16)6-4-7-15(13)19/h3-8,16,20H,9-11H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
(1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 301.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 95588885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).