N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine

C24H28FN — CID 19893359

IUPACN-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine
SMILESCCN(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(F)c2ccccc12
InChIInChI=1S/C24H28FN/c1-5-26(16-18-10-13-20(14-11-18)24(2,3)4)17-19-12-15-23(25)22-9-7-6-8-21(19)22/h6-15H,5,16-17H2,1-4H3
InChIKeyNFLFRQTVLPKHPZ-UHFFFAOYSA-N
MW349.49 g/mol
LogP6.30
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine

N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine (PubChem CID 19893359) has the molecular formula C24H28FN and a molecular weight of 349.49 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine
PubChem CID19893359
Molecular FormulaC24H28FN
Molecular Weight349.49 g/mol
Exact Mass349.22
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine
SMILESCCN(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(F)c2ccccc12
InChIInChI=1S/C24H28FN/c1-5-26(16-18-10-13-20(14-11-18)24(2,3)4)17-19-12-15-23(25)22-9-7-6-8-21(19)22/h6-15H,5,16-17H2,1-4H3
InChIKeyNFLFRQTVLPKHPZ-UHFFFAOYSA-N
XLogP6.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine (CID 19893359) is N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine is CCN(Cc1ccc(C(C)(C)C)cc1)Cc1ccc(F)c2ccccc12.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine?
The InChIKey is NFLFRQTVLPKHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN/c1-5-26(16-18-10-13-20(14-11-18)24(2,3)4)17-19-12-15-23(25)22-9-7-6-8-21(19)22/h6-15H,5,16-17H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine?
N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine has a molecular weight of 349.49 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-[(4-fluoronaphthalen-1-yl)methyl]ethanamine is sourced from PubChem (CID 19893359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).