1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine

C18H20FNO — CID 79233836

IUPAC1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(Cc1ccccc1F)CCC2
InChIInChI=1S/C18H20FNO/c1-21-15-9-8-13-6-4-10-18(20,16(13)11-15)12-14-5-2-3-7-17(14)19/h2-3,5,7-9,11H,4,6,10,12,20H2,1H3
InChIKeyRUPSAEZZINFJSW-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.57
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine

1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 79233836) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID79233836
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(N)(Cc1ccccc1F)CCC2
InChIInChI=1S/C18H20FNO/c1-21-15-9-8-13-6-4-10-18(20,16(13)11-15)12-14-5-2-3-7-17(14)19/h2-3,5,7-9,11H,4,6,10,12,20H2,1H3
InChIKeyRUPSAEZZINFJSW-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79375070
7-methoxy-1-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79824660
1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62620308
5-[(5-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103047824
7-methoxy-1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79241254
1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine
CID 79699262
1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62160328
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine (CID 79233836) is 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc2c(c1)C(N)(Cc1ccccc1F)CCC2.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is RUPSAEZZINFJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-15-9-8-13-6-4-10-18(20,16(13)11-15)12-14-5-2-3-7-17(14)19/h2-3,5,7-9,11H,4,6,10,12,20H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine?
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 285.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 79233836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).