(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine

C23H20FN — CID 25006024

IUPAC(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
SMILESC[C@@H](NC/C=C/C#Cc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C23H20FN/c1-18(21-15-9-13-19-10-4-6-14-22(19)21)25-17-8-2-3-11-20-12-5-7-16-23(20)24/h2,4-10,12-16,18,25H,17H2,1H3/b8-2+/t18-/m1/s1
InChIKeyOUCZCMRRDPYVEF-ZHLNUILUSA-N
MW329.42 g/mol
LogP5.24
Rot. Bonds4

About (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine

(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine (PubChem CID 25006024) has the molecular formula C23H20FN and a molecular weight of 329.42 g/mol. Its IUPAC name is (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine.

Molecular Properties

Compound Name(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
PubChem CID25006024
Molecular FormulaC23H20FN
Molecular Weight329.42 g/mol
Exact Mass329.16
IUPAC Name(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
SMILESC[C@@H](NC/C=C/C#Cc1ccccc1F)c1cccc2ccccc12
InChIInChI=1S/C23H20FN/c1-18(21-15-9-13-19-10-4-6-14-22(19)21)25-17-8-2-3-11-20-12-5-7-16-23(20)24/h2,4-10,12-16,18,25H,17H2,1H3/b8-2+/t18-/m1/s1
InChIKeyOUCZCMRRDPYVEF-ZHLNUILUSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
(E)-5-(4-bromophenyl)-N-(1-naphthalen-1-ylethyl)pent-2-en-4-yn-1-amine
CID 25006403
(E)-N-[(1R)-1-naphthalen-1-ylethyl]oct-2-en-4-yne-1,8-diamine
CID 89294620
7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-yn-1-ol
CID 91065022
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-6-trimethylsilylhex-2-en-4-yn-1-amine
CID 25005662
(E)-N'-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)hex-2-en-4-yne-1,6-diamine
CID 143626003
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-N',N'-dipropylhex-2-en-4-yne-1,6-diamine
CID 59562927
2-[(E)-7-[[(1R)-1-naphthalen-1-ylethyl]amino]hept-5-en-3-ynyl]isoindole-1,3-dione
CID 59562972
6,6-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]-7-tri(propan-2-yl)silyloxyhept-2-en-4-yn-1-amine
CID 91196178
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153
4-methyl-N-[(E)-8-[[(1R)-1-naphthalen-1-ylethyl]amino]oct-6-en-4-ynyl]benzenesulfonamide
CID 59562872
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 46194726

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine?
The IUPAC name of (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine (CID 25006024) is (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine.
What is the SMILES notation for (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine?
The canonical SMILES for (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine is C[C@@H](NC/C=C/C#Cc1ccccc1F)c1cccc2ccccc12.
What is the InChIKey of (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine?
The InChIKey is OUCZCMRRDPYVEF-ZHLNUILUSA-N. The full InChI is InChI=1S/C23H20FN/c1-18(21-15-9-13-19-10-4-6-14-22(19)21)25-17-8-2-3-11-20-12-5-7-16-23(20)24/h2,4-10,12-16,18,25H,17H2,1H3/b8-2+/t18-/m1/s1.
What are the key properties of (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine?
(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine has a molecular weight of 329.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine is sourced from PubChem (CID 25006024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).