2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine

C20H21FN2 — CID 67633318

IUPAC2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine
SMILESNCC(Cc1ccc2ccccc2c1)NCc1ccccc1F
InChIInChI=1S/C20H21FN2/c21-20-8-4-3-7-18(20)14-23-19(13-22)12-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,19,23H,12-14,22H2
InChIKeyAPXXJHUSHKBCFR-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.64
Rot. Bonds6

About 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine

2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine (PubChem CID 67633318) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine
PubChem CID67633318
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine
SMILESNCC(Cc1ccc2ccccc2c1)NCc1ccccc1F
InChIInChI=1S/C20H21FN2/c21-20-8-4-3-7-18(20)14-23-19(13-22)12-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,19,23H,12-14,22H2
InChIKeyAPXXJHUSHKBCFR-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine (CID 67633318) is 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine is NCC(Cc1ccc2ccccc2c1)NCc1ccccc1F.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine?
The InChIKey is APXXJHUSHKBCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c21-20-8-4-3-7-18(20)14-23-19(13-22)12-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,19,23H,12-14,22H2.
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine?
2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine has a molecular weight of 308.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine is sourced from PubChem (CID 67633318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).