3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine

C22H24FN — CID 71020754

IUPAC3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCc1cccc(CF)c1)c1cccc2ccccc12
InChIInChI=1S/C22H24FN/c1-17(21-13-5-11-20-10-2-3-12-22(20)21)24-14-6-9-18-7-4-8-19(15-18)16-23/h2-5,7-8,10-13,15,17,24H,6,9,14,16H2,1H3/t17-/m1/s1
InChIKeyDNMGSRCUNNXTOJ-QGZVFWFLSA-N
MW321.44 g/mol
LogP5.59
Rot. Bonds7

About 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine

3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine (PubChem CID 71020754) has the molecular formula C22H24FN and a molecular weight of 321.44 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
PubChem CID71020754
Molecular FormulaC22H24FN
Molecular Weight321.44 g/mol
Exact Mass321.19
IUPAC Name3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCc1cccc(CF)c1)c1cccc2ccccc12
InChIInChI=1S/C22H24FN/c1-17(21-13-5-11-20-10-2-3-12-22(20)21)24-14-6-9-18-7-4-8-19(15-18)16-23/h2-5,7-8,10-13,15,17,24H,6,9,14,16H2,1H3/t17-/m1/s1
InChIKeyDNMGSRCUNNXTOJ-QGZVFWFLSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.44
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-naphthalen-1-ylethyl)-3-phenylpropan-1-amine;hydrochloride
CID 175678820
3-(3,3-difluoro-1,2-dihydroinden-5-yl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine;molecular hydrogen
CID 166475844
3-chloro-N-(1-naphthalen-1-ylethyl)propan-1-amine
CID 175208166
3-[[(1S)-1-naphthalen-1-ylethyl]amino]propan-1-ol
CID 28714573
N-[(1R)-1-naphthalen-1-ylethyl]-3-[2,3,4,6-tetradeuterio-5-(trifluoromethyl)phenyl]propan-1-amine
CID 46241260
3-(2-chlorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine
CID 54480749
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(3-phenylpropyl)acetamide
CID 9397422
N'-methyl-N-(1-naphthalen-1-ylethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 103729405
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
2-[[2-methyl-2-[4-[3-(1-naphthalen-1-ylethylamino)propyl]phenyl]propanoyl]amino]acetic acid
CID 67287623
N-[2-(1-naphthalen-1-ylethylamino)ethyl]methanesulfonamide
CID 43208119

Frequently Asked Questions

What is the IUPAC name of 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
The IUPAC name of 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine (CID 71020754) is 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine.
What is the SMILES notation for 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
The canonical SMILES for 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine is C[C@@H](NCCCc1cccc(CF)c1)c1cccc2ccccc12.
What is the InChIKey of 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
The InChIKey is DNMGSRCUNNXTOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24FN/c1-17(21-13-5-11-20-10-2-3-12-22(20)21)24-14-6-9-18-7-4-8-19(15-18)16-23/h2-5,7-8,10-13,15,17,24H,6,9,14,16H2,1H3/t17-/m1/s1.
What are the key properties of 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine?
3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine has a molecular weight of 321.44 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)phenyl]-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine is sourced from PubChem (CID 71020754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).