(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine

C22H22F3N — CID 118703628

IUPAC(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine
SMILESC[C@@H](NC/C=C/C1=CCC=C(C(F)(F)F)C1)c1cccc2ccccc12
InChIInChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-3,5-13,16,26H,4,14-15H2,1H3/b8-6+/t16-/m1/s1
InChIKeyXYUDKRQKAXHKCV-IQIBNGDESA-N
MW357.42 g/mol
LogP6.26
Rot. Bonds5

About (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine

(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine (PubChem CID 118703628) has the molecular formula C22H22F3N and a molecular weight of 357.42 g/mol. Its IUPAC name is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine
PubChem CID118703628
Molecular FormulaC22H22F3N
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine
SMILESC[C@@H](NC/C=C/C1=CCC=C(C(F)(F)F)C1)c1cccc2ccccc12
InChIInChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-3,5-13,16,26H,4,14-15H2,1H3/b8-6+/t16-/m1/s1
InChIKeyXYUDKRQKAXHKCV-IQIBNGDESA-N
XLogP6.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.42
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 46194726
(E)-2,2-dimethyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pent-3-en-1-ol
CID 70834153
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylpent-2-en-4-yn-1-amine
CID 91425181
(E)-5-(2-fluorophenyl)-N-[(1R)-1-naphthalen-1-ylethyl]pent-2-en-4-yn-1-amine
CID 25006024
methyl (E)-2,2-dimethyl-6-[[(1R)-1-naphthalen-1-ylethyl]amino]hex-4-enoate
CID 70834224
(E)-N-[(R)-cyclopropyl(naphthalen-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 149097689
1-naphthalen-1-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106427136
(E)-N'-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)hex-2-en-4-yne-1,6-diamine
CID 143626003
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
2-methyl-N-(1-naphthalen-1-ylethyl)butan-1-amine
CID 43094255

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine?
The IUPAC name of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine (CID 118703628) is (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine?
The canonical SMILES for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine is C[C@@H](NC/C=C/C1=CCC=C(C(F)(F)F)C1)c1cccc2ccccc12.
What is the InChIKey of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine?
The InChIKey is XYUDKRQKAXHKCV-IQIBNGDESA-N. The full InChI is InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-3,5-13,16,26H,4,14-15H2,1H3/b8-6+/t16-/m1/s1.
What are the key properties of (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine?
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine has a molecular weight of 357.42 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-[5-(trifluoromethyl)cyclohexa-1,4-dien-1-yl]prop-2-en-1-amine is sourced from PubChem (CID 118703628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).