2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine

C20H21FN2 — CID 67633419

IUPAC2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine
SMILESNCC(Cc1ccc2ccccc2c1)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN2/c21-19-9-6-15(7-10-19)14-23-20(13-22)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11,20,23H,12-14,22H2
InChIKeyHSXDRKLPEHQMNV-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.64
Rot. Bonds6

About 2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine

2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine (PubChem CID 67633419) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine
PubChem CID67633419
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine
SMILESNCC(Cc1ccc2ccccc2c1)NCc1ccc(F)cc1
InChIInChI=1S/C20H21FN2/c21-19-9-6-15(7-10-19)14-23-20(13-22)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11,20,23H,12-14,22H2
InChIKeyHSXDRKLPEHQMNV-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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Related Compounds

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CID 156419
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5-ethyl-6-methyl-3-(2-naphthylmethylamino)-1H-pyridine-2-thione
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1-(2-(Naphthalen-2-yl)ethyl)piperazine
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N-(1-naphthylmethyl)-N-(2-naphthylmethyl)amine
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1-[[3-(1,4,8,11-Tetrazacyclotetradec-1-ylmethyl)-1-naphthyl]methyl]-1,4,8,11-tetrazacyclotetradecane
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CID 1376821
N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 6101856

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine (CID 67633419) is 2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine is NCC(Cc1ccc2ccccc2c1)NCc1ccc(F)cc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine?
The InChIKey is HSXDRKLPEHQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c21-19-9-6-15(7-10-19)14-23-20(13-22)12-16-5-8-17-3-1-2-4-18(17)11-16/h1-11,20,23H,12-14,22H2.
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine?
2-N-[(4-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-[(4-fluorophenyl)methyl]-3-naphthalen-2-ylpropane-1,2-diamine is sourced from PubChem (CID 67633419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).