1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine

C21H25FN2 — CID 160513192

IUPAC1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine
SMILESCC(N)c1ccc2ccccc2c1.CCC(N)c1ccc(F)cc1
InChIInChI=1S/C12H13N.C9H12FN/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-2-9(11)7-3-5-8(10)6-4-7/h2-9H,13H2,1H3;3-6,9H,2,11H2,1H3
InChIKeyQTHSNTIOIGBEFQ-UHFFFAOYSA-N
MW324.44 g/mol
LogP5.09
Rot. Bonds3

About 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine

1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine (PubChem CID 160513192) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine
PubChem CID160513192
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine
SMILESCC(N)c1ccc2ccccc2c1.CCC(N)c1ccc(F)cc1
InChIInChI=1S/C12H13N.C9H12FN/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-2-9(11)7-3-5-8(10)6-4-7/h2-9H,13H2,1H3;3-6,9H,2,11H2,1H3
InChIKeyQTHSNTIOIGBEFQ-UHFFFAOYSA-N
XLogP5.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-ylethanamine
CID 3857145
(4-fluorophenyl)-naphthalen-2-ylmethanamine
CID 43184816
N'-ethyl-1-(4-fluorophenyl)-N'-naphthalen-2-ylethane-1,2-diamine
CID 57279537
2-butan-2-yloxy-1-naphthalen-2-ylethanamine
CID 54944139
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2-(5-fluoro-2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 105373838
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine
CID 43295722
(1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 63533664

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine?
The IUPAC name of 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine (CID 160513192) is 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine?
The canonical SMILES for 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine is CC(N)c1ccc2ccccc2c1.CCC(N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine?
The InChIKey is QTHSNTIOIGBEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C9H12FN/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11;1-2-9(11)7-3-5-8(10)6-4-7/h2-9H,13H2,1H3;3-6,9H,2,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine?
1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine has a molecular weight of 324.44 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine is sourced from PubChem (CID 160513192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).